2-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
2-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
2-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | P497-1800 |
| Compound Name: | 2-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C22 H21 N3 O4 S |
| Smiles: | Cc1ccc(CNC(c2c(C)nc(CC(Nc3ccc4c(c3)OCO4)=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7019 |
| logD: | 3.7018 |
| logSw: | -3.9318 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.723 |
| InChI Key: | PHLBUGUZDSCKND-UHFFFAOYSA-N |