3-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
Chemical Structure Depiction of
3-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
3-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
Compound characteristics
| Compound ID: | L866-2512 |
| Compound Name: | 3-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]-N-(2-methylpropyl)propanamide |
| Molecular Weight: | 464.52 |
| Molecular Formula: | C25 H28 N4 O5 |
| Smiles: | CC(C)CNC(CCC1C(N(CC(NCc2ccc3c(c2)OCO3)=O)c2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.949 |
| logD: | 1.949 |
| logSw: | -2.6751 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.412 |
| InChI Key: | KPAFQJAPCONWRC-UHFFFAOYSA-N |