N-[4-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1,3-thiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[4-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1,3-thiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[4-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1,3-thiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F186-0809 |
| Compound Name: | N-[4-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1,3-thiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C21 H19 N3 O4 S |
| Smiles: | Cc1ccc(CNC(Cc2csc(NC(c3ccc4c(c3)OCO4)=O)n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7479 |
| logD: | 3.739 |
| logSw: | -3.9595 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.187 |
| InChI Key: | GAGCFFZHLUNONA-UHFFFAOYSA-N |