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}methyl)benzamide
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}methyl)benzamide
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}methyl)benzamide
Compound characteristics
| Compound ID: | C260-1153 |
| 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}methyl)benzamide |
| Molecular Weight: | 631.69 |
| Molecular Formula: | C36 H33 N5 O6 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(CN2C(c3ccccc3N(CC(N3CCN(CC3)c3ccccc3)=O)C2=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6937 |
| logD: | 3.6936 |
| logSw: | -4.1088 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.448 |
| InChI Key: | CRHMNQCJJGOFEO-UHFFFAOYSA-N |