8-(methanesulfonyl)-7-phenyl-1-[(pyridin-2-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(methanesulfonyl)-7-phenyl-1-[(pyridin-2-yl)methyl]-1,4,8-triazacycloundecan-5-one
8-(methanesulfonyl)-7-phenyl-1-[(pyridin-2-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0182 |
| Compound Name: | 8-(methanesulfonyl)-7-phenyl-1-[(pyridin-2-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | CS(N1CCCN(CCNC(CC1c1ccccc1)=O)Cc1ccccn1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8436 |
| logD: | 0.8081 |
| logSw: | -2.3362 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.351 |
| InChI Key: | WICSODYVDIGSTO-FQEVSTJZSA-N |