ethyl 4-amino-2-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
Compound ID: | E726-0089 |
Compound Name: | ethyl 4-amino-2-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate |
Molecular Weight: | 380.85 |
Molecular Formula: | C16 H17 Cl N4 O3 S |
Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1cccc(c1C)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 3.077 |
logD: | 3.0768 |
logSw: | -3.4644 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 81.684 |
InChI Key: | BUHXLWIZFNPXDU-UHFFFAOYSA-N |