[4-(cyclohexanecarbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Chemical Structure Depiction of
[4-(cyclohexanecarbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
[4-(cyclohexanecarbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-0954 |
| Compound Name: | [4-(cyclohexanecarbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C21 H28 N6 O2 |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccncc2)=O)C(C2CCCCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4313 |
| logD: | 1.4283 |
| logSw: | -1.3304 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.319 |
| InChI Key: | VITGJFJKPQEEND-SFHVURJKSA-N |