5-chloro-N-(2,6-dimethylphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(2,6-dimethylphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
5-chloro-N-(2,6-dimethylphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0030 |
| Compound Name: | 5-chloro-N-(2,6-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)c1c(C)cccc1C |
| Stereo: | ACHIRAL |
| logP: | 4.6205 |
| logD: | 4.6172 |
| logSw: | -4.6002 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.248 |
| InChI Key: | UQMMYODSGLATOS-UHFFFAOYSA-N |