[4-(ethanesulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Chemical Structure Depiction of
[4-(ethanesulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
[4-(ethanesulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-0961 |
| Compound Name: | [4-(ethanesulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C16 H22 N6 O3 S |
| Smiles: | CCS(N1CCCN(C(C1)c1nc(C)n[nH]1)C(c1ccncc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.3766 |
| logD: | -0.3796 |
| logSw: | -1.7541 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.356 |
| InChI Key: | QUPRGIGSBBLNRO-AWEZNQCLSA-N |