N-(3-chlorophenyl)-2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
N-(3-chlorophenyl)-2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G786-1754 |
| Compound Name: | N-(3-chlorophenyl)-2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 485.92 |
| Molecular Formula: | C22 H17 Cl F N5 O3 S |
| Smiles: | CN1C(c2c(nc(c3ccc(cc3)F)nc2SCC(Nc2cccc(c2)[Cl])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3354 |
| logD: | 5.3353 |
| logSw: | -6.0736 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.933 |
| InChI Key: | RCTPLRJYESXIFR-UHFFFAOYSA-N |