ethyl 4-amino-2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
ethyl 4-amino-2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
Compound characteristics
Compound ID: | E726-0068 |
Compound Name: | ethyl 4-amino-2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate |
Molecular Weight: | 420.49 |
Molecular Formula: | C19 H24 N4 O5 S |
Smiles: | CCOC(c1cnc(nc1N)SCC(NCCc1ccc(c(c1)OC)OC)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.2428 |
logD: | 1.2428 |
logSw: | -2.4499 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 98.806 |
InChI Key: | VDQPTCRKEXSLKT-UHFFFAOYSA-N |