1-[4-(ethanesulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[4-(ethanesulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
1-[4-(ethanesulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | SA53-0540 |
| Compound Name: | 1-[4-(ethanesulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one |
| Molecular Weight: | 343.45 |
| Molecular Formula: | C14 H25 N5 O3 S |
| Smiles: | CCS(N1CCCN(C(C1)c1nc(C)n[nH]1)C(C(C)C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2987 |
| logD: | 0.298 |
| logSw: | -1.8342 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.199 |
| InChI Key: | SLRCOLGBEBONCE-LBPRGKRZSA-N |