5-chloro-N-(3,4-dimethylphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(3,4-dimethylphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
5-chloro-N-(3,4-dimethylphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0014 |
| Compound Name: | 5-chloro-N-(3,4-dimethylphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 401.89 |
| Molecular Formula: | C20 H17 Cl F N3 O S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccc(cc1)F)[Cl])=O)c1ccc(C)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5606 |
| logD: | 5.5596 |
| logSw: | -5.8881 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.643 |
| InChI Key: | UNHQWMJGKKUIQB-UHFFFAOYSA-N |