5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0043 |
| Compound Name: | 5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 417.89 |
| Molecular Formula: | C20 H17 Cl F N3 O2 S |
| Smiles: | [H]N(Cc1ccc(cc1)OC)C(c1c(cnc(n1)SCc1ccc(cc1)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1468 |
| logD: | 4.1468 |
| logSw: | -4.3175 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.509 |
| InChI Key: | YJCMQJWUZIASLS-UHFFFAOYSA-N |