methyl 2-({5-chloro-2-[(4-fluorophenyl)methanesulfonyl]pyrimidine-4-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({5-chloro-2-[(4-fluorophenyl)methanesulfonyl]pyrimidine-4-carbonyl}amino)benzoate
methyl 2-({5-chloro-2-[(4-fluorophenyl)methanesulfonyl]pyrimidine-4-carbonyl}amino)benzoate
Compound characteristics
Compound ID: | D233-0328 |
Compound Name: | methyl 2-({5-chloro-2-[(4-fluorophenyl)methanesulfonyl]pyrimidine-4-carbonyl}amino)benzoate |
Molecular Weight: | 463.87 |
Molecular Formula: | C20 H15 Cl F N3 O5 S |
Smiles: | [H]N(C(c1c(cnc(n1)S(Cc1ccc(cc1)F)(=O)=O)[Cl])=O)c1ccccc1C(=O)OC |
Stereo: | ACHIRAL |
logP: | 3.3055 |
logD: | 0.889 |
logSw: | -3.6975 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 91.983 |
InChI Key: | LUHQDHIKOGOUFJ-UHFFFAOYSA-N |