[4-(3-methylbenzoyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Chemical Structure Depiction of
[4-(3-methylbenzoyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
[4-(3-methylbenzoyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-1089 |
| Compound Name: | [4-(3-methylbenzoyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone |
| Molecular Weight: | 404.47 |
| Molecular Formula: | C22 H24 N6 O2 |
| Smiles: | Cc1cccc(c1)C(N1CCCN(C(C1)c1nc(C)n[nH]1)C(c1ccncc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1134 |
| logD: | 1.1104 |
| logSw: | -1.4807 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.127 |
| InChI Key: | SWLUPPRNRIFESR-IBGZPJMESA-N |