1-[4-(4-ethoxybenzene-1-sulfonyl)-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-(4-ethoxybenzene-1-sulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
1-[4-(4-ethoxybenzene-1-sulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | SA53-1368 |
| Compound Name: | 1-[4-(4-ethoxybenzene-1-sulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C20 H29 N5 O4 S |
| Smiles: | CCOc1ccc(cc1)S(N1CCCN(C(C1)c1nc(C)n[nH]1)C(C(C)C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0137 |
| logD: | 2.013 |
| logSw: | -2.714 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.157 |
| InChI Key: | HJXKHXHALLWAJH-SFHVURJKSA-N |