N-(2H-1,3-benzodioxol-5-yl)-2-{[6,8-dimethyl-2-(3-methylphenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[6,8-dimethyl-2-(3-methylphenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[6,8-dimethyl-2-(3-methylphenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G786-1829 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[6,8-dimethyl-2-(3-methylphenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 491.52 |
| Molecular Formula: | C24 H21 N5 O5 S |
| Smiles: | Cc1cccc(c1)c1nc2c(C(N(C)C(N2C)=O)=O)c(n1)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7552 |
| logD: | 4.7551 |
| logSw: | -4.6909 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.049 |
| InChI Key: | VOFTYWYVFZYJDX-UHFFFAOYSA-N |