5-chloro-N-(2-fluorophenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(2-fluorophenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
5-chloro-N-(2-fluorophenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0015 |
| Compound Name: | 5-chloro-N-(2-fluorophenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 391.82 |
| Molecular Formula: | C18 H12 Cl F2 N3 O S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccc(cc1)F)[Cl])=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 4.5515 |
| logD: | 4.4747 |
| logSw: | -4.5697 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.946 |
| InChI Key: | XTTIJERUAMVONI-UHFFFAOYSA-N |