N-[(3-bromophenyl)methyl]-7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
N-[(3-bromophenyl)methyl]-7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | E722-3548 |
| Compound Name: | N-[(3-bromophenyl)methyl]-7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide |
| Molecular Weight: | 434.42 |
| Molecular Formula: | C20 H20 Br N O S2 |
| Smiles: | CC1CCc2c3CSC(=Cc3sc2C1)C(NCc1cccc(c1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9574 |
| logD: | 5.9574 |
| logSw: | -5.4933 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.5113 |
| InChI Key: | HJVNEYPNTKQWJB-GFCCVEGCSA-N |