[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](2,4-dimethyl-1,3-thiazol-5-yl)methanone
Chemical Structure Depiction of
[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](2,4-dimethyl-1,3-thiazol-5-yl)methanone
[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](2,4-dimethyl-1,3-thiazol-5-yl)methanone
Compound characteristics
| Compound ID: | SA53-0884 |
| Compound Name: | [4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](2,4-dimethyl-1,3-thiazol-5-yl)methanone |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C21 H24 N6 O2 S |
| Smiles: | Cc1c(C(N2CCCN(C(C2)c2nc(C)n[nH]2)C(c2ccccc2)=O)=O)sc(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9948 |
| logD: | 1.9941 |
| logSw: | -2.3616 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.088 |
| InChI Key: | SAAKTMJUSKWAAV-KRWDZBQOSA-N |