N-(2,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
N-(2,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | E722-2535 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide |
| Molecular Weight: | 387.52 |
| Molecular Formula: | C20 H21 N O3 S2 |
| Smiles: | COc1ccc(c(c1)NC(C1=Cc2c(CS1)c1CCCCc1s2)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9794 |
| logD: | 4.9792 |
| logSw: | -4.6977 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.666 |
| InChI Key: | BZYGNFSNLANPGX-UHFFFAOYSA-N |