4-benzoyl-N-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-benzoyl-N-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
4-benzoyl-N-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | SA53-0876 |
| Compound Name: | 4-benzoyl-N-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 418.5 |
| Molecular Formula: | C23 H26 N6 O2 |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccccc2)=O)C(NCc2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9959 |
| logD: | 1.9952 |
| logSw: | -2.1897 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.842 |
| InChI Key: | YEDAZXCFNAMLKF-FQEVSTJZSA-N |