4-benzoyl-N-cyclopentyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-benzoyl-N-cyclopentyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
4-benzoyl-N-cyclopentyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | SA53-0924 |
| Compound Name: | 4-benzoyl-N-cyclopentyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C21 H28 N6 O2 |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccccc2)=O)C(NC2CCCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2395 |
| logD: | 2.2388 |
| logSw: | -2.5509 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.933 |
| InChI Key: | DDRXCQHEBXFUQI-SFHVURJKSA-N |