N-[(2-chlorophenyl)methyl]-4-{[1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-{[1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
N-[(2-chlorophenyl)methyl]-4-{[1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | C260-2797 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-{[1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide |
| Molecular Weight: | 611.05 |
| Molecular Formula: | C33 H27 Cl N4 O6 |
| Smiles: | C(c1ccccc1[Cl])NC(c1ccc(CN2C(c3ccccc3N(CC(Nc3ccc4c(c3)OCCO4)=O)C2=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9715 |
| logD: | 3.9715 |
| logSw: | -4.4018 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.653 |
| InChI Key: | ACASZZRTCOTYKU-UHFFFAOYSA-N |