methyl 2-{2-[7-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2,4-dioxo-3-phenyl-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[7-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2,4-dioxo-3-phenyl-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
methyl 2-{2-[7-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2,4-dioxo-3-phenyl-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C487-0092 |
| Compound Name: | methyl 2-{2-[7-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2,4-dioxo-3-phenyl-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 606.59 |
| Molecular Formula: | C33 H26 N4 O8 |
| Smiles: | COC(c1ccccc1NC(CN1C(N(C(c2ccc(cc12)C(NCc1ccc2c(c1)OCO2)=O)=O)c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3591 |
| logD: | 3.349 |
| logSw: | -3.7906 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.81 |
| InChI Key: | AVULJAQPBCIFLA-UHFFFAOYSA-N |