N-[(4-ethoxyphenyl)methyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-[(4-ethoxyphenyl)methyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
N-[(4-ethoxyphenyl)methyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | E722-2670 |
| Compound Name: | N-[(4-ethoxyphenyl)methyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide |
| Molecular Weight: | 385.55 |
| Molecular Formula: | C21 H23 N O2 S2 |
| Smiles: | CCOc1ccc(CNC(C2=Cc3c(CS2)c2CCCCc2s3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1395 |
| logD: | 5.1395 |
| logSw: | -4.9218 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.635 |
| InChI Key: | ITYVDXXQPFBEDT-UHFFFAOYSA-N |