N-(2H-1,3-benzodioxol-5-yl)-4-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}piperazine-1-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-4-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | F678-0302 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}piperazine-1-carboxamide |
| Molecular Weight: | 497.55 |
| Molecular Formula: | C28 H27 N5 O4 |
| Smiles: | Cc1ccc(CN2C(C(=Nc3ccccc23)N2CCN(CC2)C(Nc2ccc3c(c2)OCO3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.055 |
| logD: | 4.055 |
| logSw: | -4.0723 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.612 |
| InChI Key: | MFYJNMVTVWFJQT-UHFFFAOYSA-N |