{2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-[4-(propan-2-yl)benzoyl]-1,4-diazepan-1-yl}(pyridin-4-yl)methanone
Chemical Structure Depiction of
{2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-[4-(propan-2-yl)benzoyl]-1,4-diazepan-1-yl}(pyridin-4-yl)methanone
{2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-[4-(propan-2-yl)benzoyl]-1,4-diazepan-1-yl}(pyridin-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-0977 |
| Compound Name: | {2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-[4-(propan-2-yl)benzoyl]-1,4-diazepan-1-yl}(pyridin-4-yl)methanone |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C24 H28 N6 O2 |
| Smiles: | CC(C)c1ccc(cc1)C(N1CCCN(C(C1)c1nc(C)n[nH]1)C(c1ccncc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1646 |
| logD: | 2.1616 |
| logSw: | -2.2965 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.127 |
| InChI Key: | RIUPLBVWSACOKC-NRFANRHFSA-N |