4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-6-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-6-methoxy-2H-1-benzopyran-2-one
4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-6-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D154-0473 |
| Compound Name: | 4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-6-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C23 H24 N2 O5 |
| Smiles: | COc1ccc2c(c1)C(CN1CCN(CC1)Cc1ccc3c(c1)OCO3)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.5091 |
| logD: | 1.182 |
| logSw: | -3.0395 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.578 |
| InChI Key: | KLOYSJLJWAAVPH-UHFFFAOYSA-N |