2-[(2-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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: | G786-1808 |
| Compound Name: | 2-[(2-cyclohexyl-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: | 471.55 |
| Molecular Formula: | C23 H26 F N5 O3 S |
| Smiles: | CN1C(c2c(nc(C3CCCCC3)nc2SCC(NCc2ccc(cc2)F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1446 |
| logD: | 4.1446 |
| logSw: | -4.2865 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.448 |
| InChI Key: | SHCDFOIFIJCTCY-UHFFFAOYSA-N |