2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-methyl[1]benzopyrano[4,3-b]pyrrol-4(1H)-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-methyl[1]benzopyrano[4,3-b]pyrrol-4(1H)-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-methyl[1]benzopyrano[4,3-b]pyrrol-4(1H)-one
Compound characteristics
| Compound ID: | F210-0065 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-methyl[1]benzopyrano[4,3-b]pyrrol-4(1H)-one |
| Molecular Weight: | 445.47 |
| Molecular Formula: | C25 H23 N3 O5 |
| Smiles: | Cn1c(cc2C(=O)Oc3ccccc3c12)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8223 |
| logD: | 2.6302 |
| logSw: | -3.3859 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.866 |
| InChI Key: | WBQNCOYMWPGEHM-UHFFFAOYSA-N |