4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-5,7,8-trimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-5,7,8-trimethyl-2H-1-benzopyran-2-one
4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-5,7,8-trimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-3846 |
| Compound Name: | 4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-5,7,8-trimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C25 H28 N2 O4 |
| Smiles: | Cc1cc(C)c2C(CN3CCN(CC3)Cc3ccc4c(c3)OCO4)=CC(=O)Oc2c1C |
| Stereo: | ACHIRAL |
| logP: | 3.9336 |
| logD: | 2.6065 |
| logSw: | -4.1721 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.718 |
| InChI Key: | RURGSMZFQYJSPI-UHFFFAOYSA-N |