2-{[1-(2-chlorophenyl)-4-oxo-6-(2-phenylethyl)-1,4,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[1-(2-chlorophenyl)-4-oxo-6-(2-phenylethyl)-1,4,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
2-{[1-(2-chlorophenyl)-4-oxo-6-(2-phenylethyl)-1,4,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | 8602-0236 |
| Compound Name: | 2-{[1-(2-chlorophenyl)-4-oxo-6-(2-phenylethyl)-1,4,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 550.05 |
| Molecular Formula: | C28 H25 Cl F N5 O2 S |
| Smiles: | C(CN1CC2=C(NC1)N(C(=NC2=O)SCC(Nc1ccc(cc1)F)=O)c1ccccc1[Cl])c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4402 |
| logD: | 4.4341 |
| logSw: | -4.4256 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.589 |
| InChI Key: | ZUKHINHJXZPFFE-UHFFFAOYSA-N |