N-{2-[4-(methylsulfanyl)phenyl]ethyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | E722-2686 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide |
| Molecular Weight: | 401.61 |
| Molecular Formula: | C21 H23 N O S3 |
| Smiles: | CSc1ccc(CCNC(C2=Cc3c(CS2)c2CCCCc2s3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4234 |
| logD: | 5.4234 |
| logSw: | -5.343 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.3528 |
| InChI Key: | MKNXAKKXZPEQKI-UHFFFAOYSA-N |