2-[3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(2-chloro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(2-chloro-4-methylphenyl)acetamide
2-[3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(2-chloro-4-methylphenyl)acetamide
Compound characteristics
Compound ID: | C242-1130 |
Compound Name: | 2-[3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(2-chloro-4-methylphenyl)acetamide |
Molecular Weight: | 497.96 |
Molecular Formula: | C24 H20 Cl N3 O5 S |
Smiles: | Cc1ccc(c(c1)[Cl])NC(CN1C(N(C(c2c(C)c(C)sc12)=O)c1ccc2c(c1)OCO2)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.6846 |
logD: | 4.6845 |
logSw: | -5.0464 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.674 |
InChI Key: | ZOVVGCIBLDDBKQ-UHFFFAOYSA-N |