3-methylphenyl 5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxylate
Chemical Structure Depiction of
3-methylphenyl 5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxylate
3-methylphenyl 5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D233-0051 |
| Compound Name: | 3-methylphenyl 5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxylate |
| Molecular Weight: | 388.85 |
| Molecular Formula: | C19 H14 Cl F N2 O2 S |
| Smiles: | Cc1cccc(c1)OC(c1c(cnc(n1)SCc1ccc(cc1)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0632 |
| logD: | 5.0632 |
| logSw: | -5.2943 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.93 |
| InChI Key: | YATXMIRZPQZXFA-UHFFFAOYSA-N |