2-[(2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
2-[(2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G786-1794 |
| Compound Name: | 2-[(2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 493.51 |
| Molecular Formula: | C22 H22 F3 N5 O3 S |
| Smiles: | CN1C(c2c(nc(C3CCCC3)nc2SCC(Nc2ccccc2C(F)(F)F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5487 |
| logD: | 4.5487 |
| logSw: | -4.5421 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.794 |
| InChI Key: | GFMQEDBQCYNWRS-UHFFFAOYSA-N |