methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | V010-1030 |
| Compound Name: | methyl 3-[(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(c1cccc(c1)NC(c1c(c2ccc(cc2s1)F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1441 |
| logD: | 5.1436 |
| logSw: | -5.7446 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.25 |
| InChI Key: | QEZVPGYBHBCPDO-UHFFFAOYSA-N |