N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | E722-2687 |
| Compound Name: | N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide |
| Molecular Weight: | 481.72 |
| Molecular Formula: | C27 H35 N3 O S2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CCCNC(C2=Cc3c(CS2)c2CCCCc2s3)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.8545 |
| logD: | 4.708 |
| logSw: | -5.3455 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.295 |
| InChI Key: | HOWUQKDRHLLNCZ-UHFFFAOYSA-N |