2-[(2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-(2,4-difluorophenyl)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-(2,4-difluorophenyl)acetamide
2-[(2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | G786-1792 |
| Compound Name: | 2-[(2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide |
| Molecular Weight: | 461.49 |
| Molecular Formula: | C21 H21 F2 N5 O3 S |
| Smiles: | CN1C(c2c(nc(C3CCCC3)nc2SCC(Nc2ccc(cc2F)F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9489 |
| logD: | 3.9414 |
| logSw: | -4.0631 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.794 |
| InChI Key: | YKAYCKJUBUEPKB-UHFFFAOYSA-N |