2-{[2-(4-chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-cyclopentylacetamide
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-cyclopentylacetamide
2-{[2-(4-chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-cyclopentylacetamide
Compound characteristics
| Compound ID: | G786-1844 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-cyclopentylacetamide |
| Molecular Weight: | 459.95 |
| Molecular Formula: | C21 H22 Cl N5 O3 S |
| Smiles: | CN1C(c2c(nc(c3ccc(cc3)[Cl])nc2SCC(NC2CCCC2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5881 |
| logD: | 4.5881 |
| logSw: | -5.0638 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.347 |
| InChI Key: | JLPLKMSNLWJGMD-UHFFFAOYSA-N |