Cas no 1420797-38-1 (Tert-Butyl 4-(((1H-benzo[d]imidazol-2-yl)sulfinyl)methyl)piperidine-1-carboxylate)
1420797-38-1 structure
Product Name:Tert-Butyl 4-(((1H-benzo[d]imidazol-2-yl)sulfinyl)methyl)piperidine-1-carboxylate
CAS No:1420797-38-1
MF:C18H25N3O3S
MW:363.474403142929
CID:2178592
Update Time:2023-08-06
Tert-Butyl 4-(((1H-benzo[d]imidazol-2-yl)sulfinyl)methyl)piperidine-1-carboxylate Chemical and Physical Properties
Names and Identifiers
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- Tert-butyl 4-(((1h-benzo[d]imidazol-2-yl)sulfinyl)methyl)piperidine-1-carboxylate
- Tert-Butyl 4-(((1H-benzo[d]imidazol-2-yl)sulfinyl)methyl)piperidine-1-carboxylate
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- Inchi: 1S/C18H25N3O3S/c1-18(2,3)24-17(22)21-10-8-13(9-11-21)12-25(23)16-19-14-6-4-5-7-15(14)20-16/h4-7,13H,8-12H2,1-3H3,(H,19,20)
- InChI Key: PXQBYGNHLHLHND-UHFFFAOYSA-N
- SMILES: S(C1=NC2C=CC=CC=2N1)(CC1CCN(C(=O)OC(C)(C)C)CC1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 5
- Complexity: 500
- Topological Polar Surface Area: 94.5
Tert-Butyl 4-(((1H-benzo[d]imidazol-2-yl)sulfinyl)methyl)piperidine-1-carboxylate Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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