2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | Y205-7899 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C23 H26 N4 O3 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(CN1CCN(CC1)Cc1ccc3c(c1)OCO3)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.5058 |
| logD: | 3.5058 |
| logSw: | -3.9699 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.548 |
| InChI Key: | DFCUGAMGSKZFQX-UHFFFAOYSA-N |