3-{[5-(4-fluorophenyl)pyrimidin-2-yl]amino}-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
Chemical Structure Depiction of
3-{[5-(4-fluorophenyl)pyrimidin-2-yl]amino}-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
3-{[5-(4-fluorophenyl)pyrimidin-2-yl]amino}-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | L369-0229 |
| Compound Name: | 3-{[5-(4-fluorophenyl)pyrimidin-2-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)Nc2ncc(cn2)c2ccc(cc2)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4572 |
| logD: | 5.4571 |
| logSw: | -5.4421 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.041 |
| InChI Key: | ORJVJKYOJYUXPY-UHFFFAOYSA-N |