N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-dihydroquinazolin-3(2H)-yl}butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-dihydroquinazolin-3(2H)-yl}butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-dihydroquinazolin-3(2H)-yl}butanamide
Compound characteristics
| Compound ID: | C260-1102 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-dihydroquinazolin-3(2H)-yl}butanamide |
| Molecular Weight: | 583.64 |
| Molecular Formula: | C32 H33 N5 O6 |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(c2ccccc2N(CC(N2CCN(CC2)c2ccccc2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1412 |
| logD: | 2.1412 |
| logSw: | -3.2433 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.485 |
| InChI Key: | AXZDXEIOJZEWNO-UHFFFAOYSA-N |