[4-(5-methylpyridine-3-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Chemical Structure Depiction of
[4-(5-methylpyridine-3-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
[4-(5-methylpyridine-3-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-1021 |
| Compound Name: | [4-(5-methylpyridine-3-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C21 H23 N7 O2 |
| Smiles: | Cc1cc(cnc1)C(N1CCCN(C(C1)c1nc(C)n[nH]1)C(c1ccncc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.0825 |
| logD: | 0.0795 |
| logSw: | -0.9555 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.735 |
| InChI Key: | DSOGHMATVHMIOE-SFHVURJKSA-N |