N-(2-bromophenyl)-7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-(2-bromophenyl)-7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
N-(2-bromophenyl)-7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | E722-3348 |
| Compound Name: | N-(2-bromophenyl)-7-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: | CC1CCc2c3CSC(=Cc3sc2C1)C(Nc1ccccc1[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9927 |
| logD: | 5.9927 |
| logSw: | -5.5038 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.4914 |
| InChI Key: | MEDDOHVZYPEVKI-LLVKDONJSA-N |