8-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-hydroxy-4,5-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-hydroxy-4,5-dimethyl-2H-1-benzopyran-2-one
8-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-hydroxy-4,5-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D355-0158 |
| Compound Name: | 8-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-hydroxy-4,5-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C24 H26 N2 O5 |
| Smiles: | CC1=CC(=O)Oc2c(CN3CCN(CC3)Cc3ccc4c(c3)OCO4)c(cc(C)c12)O |
| Stereo: | ACHIRAL |
| logP: | 2.8549 |
| logD: | 1.8836 |
| logSw: | -2.9866 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.267 |
| InChI Key: | BAIHTOZGORIVGX-UHFFFAOYSA-N |