N-(2H-1,3-benzodioxol-5-yl)-2-[4-{[(4-methoxyphenyl)methyl]amino}-2-oxoquinazolin-1(2H)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[4-{[(4-methoxyphenyl)methyl]amino}-2-oxoquinazolin-1(2H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[4-{[(4-methoxyphenyl)methyl]amino}-2-oxoquinazolin-1(2H)-yl]acetamide
Compound characteristics
| Compound ID: | L878-0235 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[4-{[(4-methoxyphenyl)methyl]amino}-2-oxoquinazolin-1(2H)-yl]acetamide |
| Molecular Weight: | 458.47 |
| Molecular Formula: | C25 H22 N4 O5 |
| Smiles: | COc1ccc(CNC2c3ccccc3N(CC(Nc3ccc4c(c3)OCO4)=O)C(N=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0627 |
| logD: | 3.0257 |
| logSw: | -3.5695 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.985 |
| InChI Key: | KGZZUSRUDUBCKH-UHFFFAOYSA-N |