2-{[6,8-dimethyl-2-(3-methylphenyl)-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-{[6,8-dimethyl-2-(3-methylphenyl)-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-{[6,8-dimethyl-2-(3-methylphenyl)-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: | G786-1833 |
| Compound Name: | 2-{[6,8-dimethyl-2-(3-methylphenyl)-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: | 469.54 |
| Molecular Formula: | C20 H19 N7 O3 S2 |
| Smiles: | Cc1cccc(c1)c1nc2c(C(N(C)C(N2C)=O)=O)c(n1)SCC(Nc1nnc(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7492 |
| logD: | 3.7035 |
| logSw: | -4.0265 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.285 |
| InChI Key: | HVHPMBUSADALOL-UHFFFAOYSA-N |