ethyl 2-[(benzylcarbamothioyl)amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(benzylcarbamothioyl)amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(benzylcarbamothioyl)amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3473-0867 |
| Compound Name: | ethyl 2-[(benzylcarbamothioyl)amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 388.55 |
| Molecular Formula: | C20 H24 N2 O2 S2 |
| Smiles: | CCOC(c1c2CC(C)CCc2sc1NC(NCc1ccccc1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8216 |
| logD: | 4.6282 |
| logSw: | -4.6261 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.852 |
| InChI Key: | XOXORYWDPAORNU-CYBMUJFWSA-N |