N-(3-acetylphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-carboxamide
N-(3-acetylphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D506-0194 |
| Compound Name: | N-(3-acetylphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C26 H20 F N3 O2 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccc(cc1)F)Sc1ccccc1)=O)c1cccc(c1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6362 |
| logD: | 5.635 |
| logSw: | -5.2859 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.199 |
| InChI Key: | QLYVDDKZFWTXSZ-UHFFFAOYSA-N |