5-chloro-N-[(4-methylphenyl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[(4-methylphenyl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-[(4-methylphenyl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0036 |
| Compound Name: | 5-chloro-N-[(4-methylphenyl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 307.8 |
| Molecular Formula: | C14 H14 Cl N3 O S |
| Smiles: | [H]N(Cc1ccc(C)cc1)C(c1c(cnc(n1)SC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.354 |
| logD: | 3.3537 |
| logSw: | -3.4832 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.237 |
| InChI Key: | ILFRITVAVLHJRR-UHFFFAOYSA-N |