3-{[6-(4-fluorophenyl)pyrimidin-4-yl]amino}-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
Chemical Structure Depiction of
3-{[6-(4-fluorophenyl)pyrimidin-4-yl]amino}-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
3-{[6-(4-fluorophenyl)pyrimidin-4-yl]amino}-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | F725-0385 |
| Compound Name: | 3-{[6-(4-fluorophenyl)pyrimidin-4-yl]amino}-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C25 H21 F N4 O S |
| Smiles: | CSc1ccc(CNC(c2cccc(c2)Nc2cc(c3ccc(cc3)F)ncn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9807 |
| logD: | 5.9496 |
| logSw: | -5.6258 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.67 |
| InChI Key: | YURWZMVXRYWPNO-UHFFFAOYSA-N |