2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(6-methoxy-2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(6-methoxy-2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one--hydrogen chloride (1/1)
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(6-methoxy-2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | Y021-2218 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(6-methoxy-2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 500.04 |
| Molecular Formula: | C27 H33 N3 O4 |
| Salt: | HCl |
| Smiles: | CC1=CC(C)(C)N(C(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)c2ccc(cc12)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7311 |
| logD: | 2.8994 |
| logSw: | -4.0307 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46 |
| InChI Key: | KXCDMETUQIWSJK-UHFFFAOYSA-N |