methyl 3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]-4-methylbenzoate
Chemical Structure Depiction of
methyl 3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]-4-methylbenzoate
methyl 3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]-4-methylbenzoate
Compound characteristics
Compound ID: | Y205-3855 |
Compound Name: | methyl 3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]-4-methylbenzoate |
Molecular Weight: | 377.82 |
Molecular Formula: | C18 H13 Cl F N O3 S |
Smiles: | Cc1ccc(cc1NC(c1c(c2c(cccc2s1)F)[Cl])=O)C(=O)OC |
Stereo: | ACHIRAL |
logP: | 5.073 |
logD: | 5.0722 |
logSw: | -5.5311 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.553 |
InChI Key: | SCTOSPREXLYQHG-UHFFFAOYSA-N |