N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide
Chemical Structure Depiction of
N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide
N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide
Compound characteristics
| Compound ID: | 3473-0084 |
| Compound Name: | N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide |
| Molecular Weight: | 397.56 |
| Molecular Formula: | C21 H23 N3 O S2 |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(NC(c3ccccc3)=O)=S)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5764 |
| logD: | 4.7325 |
| logSw: | -5.5423 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.011 |
| InChI Key: | CIHFRZYYAQTTOF-AWEZNQCLSA-N |