2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-4H-thieno[3,2-c][1]benzopyran-4-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-4H-thieno[3,2-c][1]benzopyran-4-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-4H-thieno[3,2-c][1]benzopyran-4-one
Compound characteristics
| Compound ID: | C066-2110 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-4H-thieno[3,2-c][1]benzopyran-4-one |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C24 H20 N2 O5 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1cc2C(=O)Oc3ccccc3c2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7636 |
| logD: | 3.5788 |
| logSw: | -4.0308 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.211 |
| InChI Key: | ANFGRMUZUXMNMF-UHFFFAOYSA-N |