3,4-dimethylphenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
3,4-dimethylphenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate
3,4-dimethylphenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate
Compound characteristics
Compound ID: | D054-0146 |
Compound Name: | 3,4-dimethylphenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate |
Molecular Weight: | 322.81 |
Molecular Formula: | C15 H15 Cl N2 O2 S |
Smiles: | CCSc1ncc(c(C(=O)Oc2ccc(C)c(C)c2)n1)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.7731 |
logD: | 4.7731 |
logSw: | -4.8887 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 39.202 |
InChI Key: | DKKSINYXNIKSQJ-UHFFFAOYSA-N |