5-chloro-N-(4-methoxyphenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(4-methoxyphenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-(4-methoxyphenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0003 |
| Compound Name: | 5-chloro-N-(4-methoxyphenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 309.77 |
| Molecular Formula: | C13 H12 Cl N3 O2 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SC)[Cl])=O)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3218 |
| logD: | 3.3195 |
| logSw: | -3.6926 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.459 |
| InChI Key: | JSOQSBMOACBWSS-UHFFFAOYSA-N |