5-chloro-N-(3-methylphenyl)-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(3-methylphenyl)-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide
5-chloro-N-(3-methylphenyl)-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0248 |
| Compound Name: | 5-chloro-N-(3-methylphenyl)-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 321.83 |
| Molecular Formula: | C15 H16 Cl N3 O S |
| Smiles: | [H]N(C(c1c(cnc(n1)SC(C)C)[Cl])=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5019 |
| logD: | 4.5011 |
| logSw: | -4.5434 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.915 |
| InChI Key: | FVVPHDVRHLZVKJ-UHFFFAOYSA-N |