N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | E722-2507 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide |
| Molecular Weight: | 415.57 |
| Molecular Formula: | C22 H25 N O3 S2 |
| Smiles: | COc1ccc(CCNC(C2=Cc3c(CS2)c2CCCCc2s3)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.2212 |
| logD: | 4.2212 |
| logSw: | -4.3821 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.614 |
| InChI Key: | BDFGKFYBCBGUMX-UHFFFAOYSA-N |