ethyl 2-(2-{3-[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)methyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 2-(2-{3-[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)methyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetamido)benzoate
ethyl 2-(2-{3-[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)methyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C260-1187 |
| Compound Name: | ethyl 2-(2-{3-[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)methyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetamido)benzoate |
| Molecular Weight: | 634.65 |
| Molecular Formula: | C35 H30 N4 O8 |
| Smiles: | CCOC(c1ccccc1NC(CN1C(N(Cc2ccc(cc2)C(NCc2ccc3c(c2)OCO3)=O)C(c2ccccc12)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3982 |
| logD: | 4.3859 |
| logSw: | -4.2256 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116 |
| InChI Key: | AWFUUPVGLVYYNJ-UHFFFAOYSA-N |