2-{[2-(3-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-{[2-(3-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide
2-{[2-(3-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | G786-1877 |
| Compound Name: | 2-{[2-(3-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 479.53 |
| Molecular Formula: | C24 H22 F N5 O3 S |
| Smiles: | CN1C(c2c(nc(c3cccc(c3)F)nc2SCC(NCCc2ccccc2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1298 |
| logD: | 4.1298 |
| logSw: | -4.385 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.097 |
| InChI Key: | PEPXRWHWDXVXJF-UHFFFAOYSA-N |