6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-benzyl-3-methylquinoxalin-2(1H)-one
Chemical Structure Depiction of
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-benzyl-3-methylquinoxalin-2(1H)-one
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-benzyl-3-methylquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | F353-0767 |
| Compound Name: | 6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-benzyl-3-methylquinoxalin-2(1H)-one |
| Molecular Weight: | 496.57 |
| Molecular Formula: | C29 H28 N4 O4 |
| Smiles: | CC1C(N(Cc2ccccc2)c2ccc(cc2N=1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1165 |
| logD: | 2.925 |
| logSw: | -3.2618 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.927 |
| InChI Key: | NISITMWJDGVDAV-UHFFFAOYSA-N |