{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazol-3-yl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazol-3-yl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazol-3-yl)methanone
Compound characteristics
| Compound ID: | G541-0462 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazol-3-yl)methanone |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | Cc1ccc2c(c1)c1c(CS2)c(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)nn1C |
| Stereo: | ACHIRAL |
| logP: | 3.2926 |
| logD: | 3.0993 |
| logSw: | -3.5124 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.866 |
| InChI Key: | MHNQKQFATGIZEZ-UHFFFAOYSA-N |