N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-methylbenzamide
Chemical Structure Depiction of
N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-methylbenzamide
N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-methylbenzamide
Compound characteristics
| Compound ID: | Y500-9770 |
| Compound Name: | N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-methylbenzamide |
| Molecular Weight: | 369.51 |
| Molecular Formula: | C19 H19 N3 O S2 |
| Smiles: | CC1CCc2c(C#N)c(NC(NC(c3ccccc3C)=O)=S)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7771 |
| logD: | 4.4466 |
| logSw: | -4.6286 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.011 |
| InChI Key: | HCVKEOMJMKJSJH-LLVKDONJSA-N |