3-{[2-(3-fluorophenyl)pyrimidin-4-yl]amino}-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
Chemical Structure Depiction of
3-{[2-(3-fluorophenyl)pyrimidin-4-yl]amino}-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
3-{[2-(3-fluorophenyl)pyrimidin-4-yl]amino}-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | F871-1006 |
| Compound Name: | 3-{[2-(3-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)Nc2ccnc(c3cccc(c3)F)n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.726 |
| logD: | 5.6289 |
| logSw: | -5.4922 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.863 |
| InChI Key: | MEQOGDPGEQDYGK-UHFFFAOYSA-N |