ethyl 4-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}benzoate
ethyl 4-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}benzoate
Compound characteristics
Compound ID: | D054-0114 |
Compound Name: | ethyl 4-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}benzoate |
Molecular Weight: | 365.84 |
Molecular Formula: | C16 H16 Cl N3 O3 S |
Smiles: | [H]N(C(c1c(cnc(n1)SCC)[Cl])=O)c1ccc(cc1)C(=O)OCC |
Stereo: | ACHIRAL |
logP: | 4.3393 |
logD: | 4.2888 |
logSw: | -4.3513 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.669 |
InChI Key: | SFGXCQILTBFEQY-UHFFFAOYSA-N |