2-{[6,8-dimethyl-5,7-dioxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[6,8-dimethyl-5,7-dioxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
2-{[6,8-dimethyl-5,7-dioxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G786-1717 |
| Compound Name: | 2-{[6,8-dimethyl-5,7-dioxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C20 H22 F N5 O3 S |
| Smiles: | CC(C)c1nc2c(C(N(C)C(N2C)=O)=O)c(n1)SCC(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0401 |
| logD: | 3.0401 |
| logSw: | -3.252 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.527 |
| InChI Key: | IPEVNROBSFYGIZ-UHFFFAOYSA-N |