2-[(2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-[(2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-[(2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
Compound ID: | G786-1793 |
Compound Name: | 2-[(2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
Molecular Weight: | 483.55 |
Molecular Formula: | C23 H25 N5 O5 S |
Smiles: | CN1C(c2c(nc(C3CCCC3)nc2SCC(Nc2ccc3c(c2)OCCO3)=O)N(C)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 3.0056 |
logD: | 3.0056 |
logSw: | -3.3413 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 90.314 |
InChI Key: | VDKDPMHEDFYOOI-UHFFFAOYSA-N |