2-{4-[1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]phenyl}-N-methylacetamide
Chemical Structure Depiction of
2-{4-[1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]phenyl}-N-methylacetamide
2-{4-[1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]phenyl}-N-methylacetamide
Compound characteristics
| Compound ID: | F144-0176 |
| Compound Name: | 2-{4-[1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]phenyl}-N-methylacetamide |
| Molecular Weight: | 500.51 |
| Molecular Formula: | C27 H24 N4 O6 |
| Smiles: | CNC(Cc1ccc(cc1)N1C(c2ccccc2N(CC(NCc2ccc3c(c2)OCO3)=O)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0946 |
| logD: | 1.0946 |
| logSw: | -2.6266 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.864 |
| InChI Key: | NYMWNBSJMVFHSE-UHFFFAOYSA-N |