{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3,4-dichloro-1-benzothiophen-2-yl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3,4-dichloro-1-benzothiophen-2-yl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3,4-dichloro-1-benzothiophen-2-yl)methanone
Compound characteristics
| Compound ID: | Y204-5766 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3,4-dichloro-1-benzothiophen-2-yl)methanone |
| Molecular Weight: | 449.35 |
| Molecular Formula: | C21 H18 Cl2 N2 O3 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1c(c2c(cccc2s1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9078 |
| logD: | 4.7231 |
| logSw: | -5.1859 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.289 |
| InChI Key: | FAGOZVMKAWMACL-UHFFFAOYSA-N |