methyl 2-{2-[3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-5-oxopentyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-5-oxopentyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
methyl 2-{2-[3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-5-oxopentyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C260-1029 |
| Compound Name: | methyl 2-{2-[3-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-5-oxopentyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 586.6 |
| Molecular Formula: | C31 H30 N4 O8 |
| Smiles: | COC(c1ccccc1NC(CN1C(N(CCCCC(NCc2ccc3c(c2)OCO3)=O)C(c2ccccc12)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8163 |
| logD: | 2.8039 |
| logSw: | -3.4355 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.458 |
| InChI Key: | ORMOVFXAVOMLHT-UHFFFAOYSA-N |