1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one
Compound characteristics
| Compound ID: | V008-7899 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one |
| Molecular Weight: | 535.57 |
| Molecular Formula: | C30 H28 F3 N3 O3 |
| Salt: | not_available |
| Smiles: | C(C(c1cccc(c1)C(F)(F)F)c1c[nH]c2ccccc12)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3947 |
| logD: | 5.0505 |
| logSw: | -6.1929 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.614 |
| InChI Key: | RLFFOKBCITXTIH-XMMPIXPASA-N |