1-{4-[3-(benzenesulfonyl)propanoyl]-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-[3-(benzenesulfonyl)propanoyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}-2-methylpropan-1-one
1-{4-[3-(benzenesulfonyl)propanoyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | SA53-0538 |
| Compound Name: | 1-{4-[3-(benzenesulfonyl)propanoyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C21 H29 N5 O4 S |
| Smiles: | CC(C)C(N1CCCN(CC1c1nc(C)n[nH]1)C(CCS(c1ccccc1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6894 |
| logD: | 0.6887 |
| logSw: | -2.2153 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.479 |
| InChI Key: | GBQLDCVLCMFGIT-SFHVURJKSA-N |