8-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-3-ethyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-3-ethyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
8-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-3-ethyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D355-0284 |
| Compound Name: | 8-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-3-ethyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C25 H28 N2 O5 |
| Smiles: | CCC1=C(C)c2ccc(c(CN3CCN(CC3)Cc3ccc4c(c3)OCO4)c2OC1=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.6809 |
| logD: | 2.7096 |
| logSw: | -3.6419 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.781 |
| InChI Key: | MMYXDTVMBAESJY-UHFFFAOYSA-N |