2-{[2-(3-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[2-(3-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
2-{[2-(3-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | G786-1878 |
| Compound Name: | 2-{[2-(3-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 473.51 |
| Molecular Formula: | C19 H16 F N7 O3 S2 |
| Smiles: | Cc1nnc(NC(CSc2c3C(N(C)C(N(C)c3nc(c3cccc(c3)F)n2)=O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5009 |
| logD: | 3.4552 |
| logSw: | -4.012 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.285 |
| InChI Key: | YKCSULQLGPZHAT-UHFFFAOYSA-N |