N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carboxamide
Compound characteristics
| Compound ID: | G539-0053 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carboxamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C26 H26 N2 O3 S |
| Smiles: | C1CCc2c(C1)c1CCN(C(c3ccccc3)c1s2)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3396 |
| logD: | 5.3396 |
| logSw: | -5.5724 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.444 |
| InChI Key: | KSEALHJZMRRCGX-XMMPIXPASA-N |