8-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-hydroxy-2H-1-benzopyran-2-one
8-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D355-0032 |
| Compound Name: | 8-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C22 H22 N2 O5 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)Cc1c(ccc2C=CC(=O)Oc12)O |
| Stereo: | ACHIRAL |
| logP: | 2.5452 |
| logD: | 1.574 |
| logSw: | -3.0286 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.267 |
| InChI Key: | PXMMXNSWMWIUDH-UHFFFAOYSA-N |