methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylate
methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y200-1938 |
| Compound Name: | methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylate |
| Molecular Weight: | 415.85 |
| Molecular Formula: | C20 H14 Cl N O5 S |
| Smiles: | COC(c1c(csc1NC(c1ccc2c(c1)OCO2)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8015 |
| logD: | 4.7494 |
| logSw: | -5.0853 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.142 |
| InChI Key: | AXUIWSPMJGJHJW-UHFFFAOYSA-N |