methyl 2-{2-[3-{3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl}-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[3-{3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl}-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
methyl 2-{2-[3-{3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl}-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C260-1045 |
| Compound Name: | methyl 2-{2-[3-{3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl}-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 597.67 |
| Molecular Formula: | C33 H35 N5 O6 |
| Smiles: | COC(c1ccccc1NC(CN1C(N(CCC(NC2CCN(CC2)Cc2ccccc2)=O)C(c2ccccc12)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8905 |
| logD: | 1.3328 |
| logSw: | -3.481 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.608 |
| InChI Key: | HSNZDRXJBZPSMP-UHFFFAOYSA-N |