3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6,7-dimethoxy-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6,7-dimethoxy-4-methyl-2H-1-benzopyran-2-one
3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6,7-dimethoxy-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y042-2734 |
| Compound Name: | 3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6,7-dimethoxy-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 480.52 |
| Molecular Formula: | C26 H28 N2 O7 |
| Smiles: | CC1=C(CC(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)C(=O)Oc2cc(c(cc12)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.7339 |
| logD: | 2.4161 |
| logSw: | -3.0744 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.198 |
| InChI Key: | PEUKNTRCGNKUHY-UHFFFAOYSA-N |