methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate
methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y200-1941 |
| Compound Name: | methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate |
| Molecular Weight: | 399.4 |
| Molecular Formula: | C20 H14 F N O5 S |
| Smiles: | COC(c1c(csc1NC(c1ccc2c(c1)OCO2)=O)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2358 |
| logD: | 4.1838 |
| logSw: | -4.497 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.142 |
| InChI Key: | YPWMRLGUBQYGDS-UHFFFAOYSA-N |