[4-(4-methoxy-2-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-(4-methoxy-2-methylbenzoyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
[4-(4-methoxy-2-methylbenzoyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-0990 |
| Compound Name: | [4-(4-methoxy-2-methylbenzoyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone |
| Molecular Weight: | 434.5 |
| Molecular Formula: | C23 H26 N6 O3 |
| Smiles: | Cc1cc(ccc1C(N1CCCN(C(C1)c1nc(C)n[nH]1)C(c1ccncc1)=O)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3979 |
| logD: | 1.3949 |
| logSw: | -1.727 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.671 |
| InChI Key: | YYNMDXUHTFABLG-FQEVSTJZSA-N |