N-cyclohexyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-cyclohexyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxamide
N-cyclohexyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | SA53-0965 |
| Compound Name: | N-cyclohexyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 411.51 |
| Molecular Formula: | C21 H29 N7 O2 |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccncc2)=O)C(NC2CCCCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5508 |
| logD: | 1.5478 |
| logSw: | -1.4652 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.995 |
| InChI Key: | NBPKGPWDJXBPHE-SFHVURJKSA-N |