2-{4-[1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]phenyl}-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-{4-[1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]phenyl}-N-(propan-2-yl)acetamide
2-{4-[1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]phenyl}-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | F144-0078 |
| Compound Name: | 2-{4-[1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]phenyl}-N-(propan-2-yl)acetamide |
| Molecular Weight: | 514.54 |
| Molecular Formula: | C28 H26 N4 O6 |
| Smiles: | CC(C)NC(Cc1ccc(cc1)N1C(c2ccccc2N(CC(Nc2ccc3c(c2)OCO3)=O)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2726 |
| logD: | 2.2725 |
| logSw: | -3.2069 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.366 |
| InChI Key: | KFVSFBKSHCGBPL-UHFFFAOYSA-N |