3-[1-(ethanesulfonyl)piperidin-4-yl]-7-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
Chemical Structure Depiction of
3-[1-(ethanesulfonyl)piperidin-4-yl]-7-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
3-[1-(ethanesulfonyl)piperidin-4-yl]-7-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
Compound characteristics
| Compound ID: | S905-0913 |
| Compound Name: | 3-[1-(ethanesulfonyl)piperidin-4-yl]-7-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine |
| Molecular Weight: | 355.5 |
| Molecular Formula: | C16 H29 N5 O2 S |
| Smiles: | CCS(N1CCC(CC1)c1nnc2CCN(CCn12)C(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7565 |
| logD: | -0.2159 |
| logSw: | -1.3109 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.003 |
| InChI Key: | WCLJYEWSEUPHTB-UHFFFAOYSA-N |