8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2,3-dihydro-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2,3-dihydro-4H-1-benzothiopyran-4-one
8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2,3-dihydro-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G777-0073 |
| Compound Name: | 8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2,3-dihydro-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C22 H22 N2 O4 S |
| Smiles: | C1CSc2c(cccc2C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.4408 |
| logD: | 2.2492 |
| logSw: | -3.0083 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.711 |
| InChI Key: | RQULVBHNWDRGQM-UHFFFAOYSA-N |