5-chloro-N-(2,5-dimethoxyphenyl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(2,5-dimethoxyphenyl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-(2,5-dimethoxyphenyl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D054-0108 |
Compound Name: | 5-chloro-N-(2,5-dimethoxyphenyl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide |
Molecular Weight: | 353.83 |
Molecular Formula: | C15 H16 Cl N3 O3 S |
Smiles: | [H]N(C(c1c(cnc(n1)SCC)[Cl])=O)c1cc(ccc1OC)OC |
Stereo: | ACHIRAL |
logP: | 3.6196 |
logD: | 3.3968 |
logSw: | -3.8679 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.391 |
InChI Key: | ZPCGEVILLVMJFG-UHFFFAOYSA-N |