1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)propan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)propan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | G354-0507 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)propan-1-one |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C26 H29 N3 O4 |
| Smiles: | COc1ccc(cc1)C(CC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)n1cccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4148 |
| logD: | 3.0705 |
| logSw: | -3.5203 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.082 |
| InChI Key: | MTFSBCOFHHCNIM-QHCPKHFHSA-N |