4-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutoxy)-1-methylquinolin-2(1H)-one
Chemical Structure Depiction of
4-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutoxy)-1-methylquinolin-2(1H)-one
4-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutoxy)-1-methylquinolin-2(1H)-one
Compound characteristics
| Compound ID: | C547-0792 |
| Compound Name: | 4-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutoxy)-1-methylquinolin-2(1H)-one |
| Molecular Weight: | 463.53 |
| Molecular Formula: | C26 H29 N3 O5 |
| Smiles: | CN1C(C=C(c2ccccc12)OCCCC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0172 |
| logD: | 1.673 |
| logSw: | -2.89 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.541 |
| InChI Key: | UUDCURWIGRWXLL-UHFFFAOYSA-N |