methyl 4-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}benzoate
methyl 4-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}benzoate
Compound characteristics
Compound ID: | D054-0126 |
Compound Name: | methyl 4-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}benzoate |
Molecular Weight: | 351.81 |
Molecular Formula: | C15 H14 Cl N3 O3 S |
Smiles: | [H]N(C(c1c(cnc(n1)SCC)[Cl])=O)c1ccc(cc1)C(=O)OC |
Stereo: | ACHIRAL |
logP: | 3.8287 |
logD: | 3.7782 |
logSw: | -4.2599 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.089 |
InChI Key: | BQAOHBXDCNPQSV-UHFFFAOYSA-N |