{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-chlorophenyl)-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-(4-chlorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazol-5-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-chlorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazol-5-yl]methanone
Compound characteristics
| Compound ID: | C509-0087 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-chlorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazol-5-yl]methanone |
| Molecular Weight: | 495 |
| Molecular Formula: | C25 H23 Cl N4 O3 S |
| Smiles: | Cn1c2c(cc(C(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)s2)c(c2ccc(cc2)[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2903 |
| logD: | 4.1056 |
| logSw: | -4.516 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.661 |
| InChI Key: | VOMHVTJWAHJNGR-UHFFFAOYSA-N |