4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-6-chloro-7-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-6-chloro-7-methyl-2H-1-benzopyran-2-one
4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-6-chloro-7-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-4045 |
| Compound Name: | 4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-6-chloro-7-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 426.9 |
| Molecular Formula: | C23 H23 Cl N2 O4 |
| Smiles: | Cc1cc2c(cc1[Cl])C(CN1CCN(CC1)Cc1ccc3c(c1)OCO3)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.0989 |
| logD: | 2.7719 |
| logSw: | -4.5095 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.034 |
| InChI Key: | FRKHOANWRDVLTJ-UHFFFAOYSA-N |