methyl 4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
methyl 4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | Y200-3729 |
| Compound Name: | methyl 4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate |
| Molecular Weight: | 363.79 |
| Molecular Formula: | C17 H11 Cl F N O3 S |
| Smiles: | COC(c1ccc(cc1)NC(c1c(c2ccc(cc2s1)F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9635 |
| logD: | 4.9579 |
| logSw: | -5.2341 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.25 |
| InChI Key: | MOCDLPPTEKOGDH-UHFFFAOYSA-N |