N-(4-bromo-3-methylphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
N-(4-bromo-3-methylphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | E722-2555 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-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: | Cc1cc(ccc1[Br])NC(C1=Cc2c(CS1)c1CCCCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2723 |
| logD: | 6.2723 |
| logSw: | -5.359 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.1892 |
| InChI Key: | CKDBCQNVJKLUMJ-UHFFFAOYSA-N |