N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[1-(2-{[(furan-2-yl)methyl]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-{[(furan-2-yl)methyl]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-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | C260-1148 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[1-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide |
| Molecular Weight: | 566.57 |
| Molecular Formula: | C31 H26 N4 O7 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(CN2C(c3ccccc3N(CC(NCc3ccco3)=O)C2=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4584 |
| logD: | 3.4584 |
| logSw: | -3.851 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.016 |
| InChI Key: | VYMZFZOTJLJEHP-UHFFFAOYSA-N |