5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxo-N-phenyl-1,2,3,6-tetrahydro[1,1'-biphenyl]-4-carbothioamide
Chemical Structure Depiction of
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxo-N-phenyl-1,2,3,6-tetrahydro[1,1'-biphenyl]-4-carbothioamide
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxo-N-phenyl-1,2,3,6-tetrahydro[1,1'-biphenyl]-4-carbothioamide
Compound characteristics
| Compound ID: | 4850-0468 |
| Compound Name: | 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxo-N-phenyl-1,2,3,6-tetrahydro[1,1'-biphenyl]-4-carbothioamide |
| Molecular Weight: | 456.56 |
| Molecular Formula: | C27 H24 N2 O3 S |
| Smiles: | C1C(CC(C(=C1NCc1ccc2c(c1)OCO2)C(Nc1ccccc1)=S)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5253 |
| logD: | 5.513 |
| logSw: | -5.8795 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.048 |
| InChI Key: | NRTVOHQJNRSAOJ-FQEVSTJZSA-N |