2-[acetyl(benzyl)amino]-4-methyl-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
2-[acetyl(benzyl)amino]-4-methyl-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1,3-thiazole-5-carboxamide
2-[acetyl(benzyl)amino]-4-methyl-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | Y042-4762 |
| Compound Name: | 2-[acetyl(benzyl)amino]-4-methyl-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C23 H22 N6 O2 S |
| Smiles: | CC(N(Cc1ccccc1)c1nc(C)c(C(Nc2ccc(Cn3cncn3)cc2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.878 |
| logD: | 2.8779 |
| logSw: | -3.2556 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.794 |
| InChI Key: | PFBRBTSRYYSASY-UHFFFAOYSA-N |