2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}-N-(3-chloro-4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}-N-(3-chloro-4-methoxyphenyl)acetamide
2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}-N-(3-chloro-4-methoxyphenyl)acetamide
Compound characteristics
Compound ID: | E545-0627 |
Compound Name: | 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}-N-(3-chloro-4-methoxyphenyl)acetamide |
Molecular Weight: | 533.92 |
Molecular Formula: | C27 H20 Cl N3 O7 |
Smiles: | COc1ccc(cc1[Cl])NC(CN1C(N(Cc2ccc3c(c2)OCO3)C(c2c1c1ccccc1o2)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.287 |
logD: | 5.2867 |
logSw: | -5.9838 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 88.467 |
InChI Key: | YEJFWLDIYPXPKE-UHFFFAOYSA-N |