5-chloro-N-(3-chloro-4-methoxyphenyl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(3-chloro-4-methoxyphenyl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-(3-chloro-4-methoxyphenyl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D054-0103 |
Compound Name: | 5-chloro-N-(3-chloro-4-methoxyphenyl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide |
Molecular Weight: | 358.24 |
Molecular Formula: | C14 H13 Cl2 N3 O2 S |
Smiles: | [H]N(C(c1c(cnc(n1)SCC)[Cl])=O)c1ccc(c(c1)[Cl])OC |
Stereo: | ACHIRAL |
logP: | 4.2485 |
logD: | 4.1017 |
logSw: | -4.4342 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.545 |
InChI Key: | XLJKFQMEPAXHGG-UHFFFAOYSA-N |