N-[(3-methoxyphenyl)methyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
N-[(3-methoxyphenyl)methyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | E722-2558 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide |
| Molecular Weight: | 371.52 |
| Molecular Formula: | C20 H21 N O2 S2 |
| Smiles: | COc1cccc(CNC(C2=Cc3c(CS2)c2CCCCc2s3)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8678 |
| logD: | 4.8678 |
| logSw: | -4.6808 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.055 |
| InChI Key: | JNMZUOQCBVFINQ-UHFFFAOYSA-N |