[2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(propan-2-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Chemical Structure Depiction of
[2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(propan-2-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
[2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(propan-2-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-0964 |
| Compound Name: | [2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(propan-2-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone |
| Molecular Weight: | 328.42 |
| Molecular Formula: | C17 H24 N6 O |
| Smiles: | CC(C)N1CCCN(C(C1)c1nc(C)n[nH]1)C(c1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5549 |
| logD: | -0.3326 |
| logSw: | -1.0465 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.535 |
| InChI Key: | INUGOSBRJMWFDZ-HNNXBMFYSA-N |