N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[1-{2-[methyl(phenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[1-{2-[methyl(phenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[1-{2-[methyl(phenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | C260-1189 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[1-{2-[methyl(phenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide |
| Molecular Weight: | 576.61 |
| Molecular Formula: | C33 H28 N4 O6 |
| Smiles: | CN(C(CN1C(N(Cc2ccc(cc2)C(NCc2ccc3c(c2)OCO3)=O)C(c2ccccc12)=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3052 |
| logD: | 3.3052 |
| logSw: | -3.8734 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.909 |
| InChI Key: | CIVMIMABOQXDTN-UHFFFAOYSA-N |