2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}thieno[3,2-c]quinolin-4(5H)-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}thieno[3,2-c]quinolin-4(5H)-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}thieno[3,2-c]quinolin-4(5H)-one
Compound characteristics
| Compound ID: | C448-0322 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}thieno[3,2-c]quinolin-4(5H)-one |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C24 H21 N3 O4 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1cc2C(Nc3ccccc3c2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4017 |
| logD: | 3.2169 |
| logSw: | -3.8254 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.167 |
| InChI Key: | CQDWGXMBCOJOFG-UHFFFAOYSA-N |