5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}-N-phenylpyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}-N-phenylpyrimidine-4-carboxamide
5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}-N-phenylpyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0060 |
| Compound Name: | 5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}-N-phenylpyrimidine-4-carboxamide |
| Molecular Weight: | 369.87 |
| Molecular Formula: | C19 H16 Cl N3 O S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccc(C)cc1)[Cl])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7757 |
| logD: | 4.7746 |
| logSw: | -4.7534 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.643 |
| InChI Key: | OBBCISVEKBPFQN-UHFFFAOYSA-N |