N-[(3-bromophenyl)methyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
N-[(3-bromophenyl)methyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | E722-2689 |
| Compound Name: | N-[(3-bromophenyl)methyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide |
| Molecular Weight: | 420.39 |
| Molecular Formula: | C19 H18 Br N O S2 |
| Smiles: | C1CCc2c(C1)c1CSC(=Cc1s2)C(NCc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5234 |
| logD: | 5.5234 |
| logSw: | -5.7324 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.5113 |
| InChI Key: | CNYRHUAEGXUJFP-UHFFFAOYSA-N |