N-[4-(2-{[(4-methoxyphenyl)methyl]amino}-2-oxoethyl)-1,3-thiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[4-(2-{[(4-methoxyphenyl)methyl]amino}-2-oxoethyl)-1,3-thiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[4-(2-{[(4-methoxyphenyl)methyl]amino}-2-oxoethyl)-1,3-thiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F186-0807 |
| Compound Name: | N-[4-(2-{[(4-methoxyphenyl)methyl]amino}-2-oxoethyl)-1,3-thiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C21 H19 N3 O5 S |
| Smiles: | COc1ccc(CNC(Cc2csc(NC(c3ccc4c(c3)OCO4)=O)n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3069 |
| logD: | 3.298 |
| logSw: | -3.6786 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.73 |
| InChI Key: | CQMJTFJUIMCDGD-UHFFFAOYSA-N |