{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(3,4-dimethoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazol-5-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(3,4-dimethoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazol-5-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(3,4-dimethoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazol-5-yl]methanone
Compound characteristics
| Compound ID: | C453-0322 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(3,4-dimethoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazol-5-yl]methanone |
| Molecular Weight: | 520.61 |
| Molecular Formula: | C27 H28 N4 O5 S |
| Smiles: | Cn1c2c(cc(C(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)s2)c(c2ccc(c(c2)OC)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4063 |
| logD: | 3.2216 |
| logSw: | -3.761 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.921 |
| InChI Key: | FJEXSXAEEHBDMJ-UHFFFAOYSA-N |