2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(3-methylphenyl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(3-methylphenyl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide
2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(3-methylphenyl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D506-0195 |
| Compound Name: | 2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(3-methylphenyl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C25 H20 F N3 O S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccc(cc1)F)Sc1ccccc1)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.2552 |
| logD: | 6.2552 |
| logSw: | -5.3101 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.372 |
| InChI Key: | HHPXWMNKXQUCJF-UHFFFAOYSA-N |