1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(3,5-dimethoxyphenyl)-3-(1-ethyl-1H-indol-3-yl)propan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(3,5-dimethoxyphenyl)-3-(1-ethyl-1H-indol-3-yl)propan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(3,5-dimethoxyphenyl)-3-(1-ethyl-1H-indol-3-yl)propan-1-one
Compound characteristics
| Compound ID: | V013-6319 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(3,5-dimethoxyphenyl)-3-(1-ethyl-1H-indol-3-yl)propan-1-one |
| Molecular Weight: | 555.67 |
| Molecular Formula: | C33 H37 N3 O5 |
| Salt: | not_available |
| Smiles: | CCn1cc(C(CC(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)c2cc(cc(c2)OC)OC)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6558 |
| logD: | 4.3115 |
| logSw: | -4.3544 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.56 |
| InChI Key: | BPTJQTRXSXCWDB-MUUNZHRXSA-N |