N-[2-(4-benzylpiperazin-1-yl)ethyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-[2-(4-benzylpiperazin-1-yl)ethyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
N-[2-(4-benzylpiperazin-1-yl)ethyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | E722-2668 |
| Compound Name: | N-[2-(4-benzylpiperazin-1-yl)ethyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide |
| Molecular Weight: | 453.67 |
| Molecular Formula: | C25 H31 N3 O S2 |
| Smiles: | C1CCc2c(C1)c1CSC(=Cc1s2)C(NCCN1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2544 |
| logD: | 4.1159 |
| logSw: | -4.1652 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.876 |
| InChI Key: | WNXHWYMDIRANAF-UHFFFAOYSA-N |