5-chloro-N-(2-methylphenyl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(2-methylphenyl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-(2-methylphenyl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D054-0369 |
Compound Name: | 5-chloro-N-(2-methylphenyl)-2-(propylsulfanyl)pyrimidine-4-carboxamide |
Molecular Weight: | 321.83 |
Molecular Formula: | C15 H16 Cl N3 O S |
Smiles: | [H]N(C(c1c(cnc(n1)SCCC)[Cl])=O)c1ccccc1C |
Stereo: | ACHIRAL |
logP: | 4.0642 |
logD: | 4.0623 |
logSw: | -4.1222 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 41.217 |
InChI Key: | VUNKTMDUWSVPSK-UHFFFAOYSA-N |