2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-5-[(4-methylphenyl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-5-[(4-methylphenyl)sulfanyl]pyrimidine-4-carboxamide
2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-5-[(4-methylphenyl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D506-0214 |
| Compound Name: | 2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-5-[(4-methylphenyl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C26 H22 F N3 O2 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccc(cc1)F)Sc1ccc(C)cc1)=O)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 6.4861 |
| logD: | 6.486 |
| logSw: | -5.5088 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.916 |
| InChI Key: | LXYAFNNLGJPFBE-UHFFFAOYSA-N |