2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(3-methylphenyl)acetamide
2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | G786-1752 |
| Compound Name: | 2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 465.5 |
| Molecular Formula: | C23 H20 F N5 O3 S |
| Smiles: | Cc1cccc(c1)NC(CSc1c2C(N(C)C(N(C)c2nc(c2ccc(cc2)F)n1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9418 |
| logD: | 4.9418 |
| logSw: | -4.7412 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.933 |
| InChI Key: | GXJVQOMEZORXFY-UHFFFAOYSA-N |