2-{[2-(2-chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[2-(2-chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
2-{[2-(2-chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G786-1847 |
| Compound Name: | 2-{[2-(2-chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 499.95 |
| Molecular Formula: | C23 H19 Cl F N5 O3 S |
| Smiles: | CN1C(c2c(nc(c3ccccc3[Cl])nc2SCC(NCc2ccc(cc2)F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8542 |
| logD: | 3.8542 |
| logSw: | -4.4897 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.255 |
| InChI Key: | GEBAUJSOCCTKGJ-UHFFFAOYSA-N |