N-(3-chlorophenyl)-2-{[2-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C610-0106 |
| Compound Name: | N-(3-chlorophenyl)-2-{[2-(4-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 497.96 |
| Molecular Formula: | C23 H20 Cl N5 O4 S |
| Smiles: | CN1C(c2c(nc(c3ccc(cc3)OC)nc2SCC(Nc2cccc(c2)[Cl])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2887 |
| logD: | 5.2886 |
| logSw: | -6.0528 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.477 |
| InChI Key: | NAVRBXRVYKPEQG-UHFFFAOYSA-N |