ethyl 6-methyl-2-{[(prop-2-en-1-yl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-methyl-2-{[(prop-2-en-1-yl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-methyl-2-{[(prop-2-en-1-yl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4333-3759 |
| Compound Name: | ethyl 6-methyl-2-{[(prop-2-en-1-yl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 338.49 |
| Molecular Formula: | C16 H22 N2 O2 S2 |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(NCC=C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8938 |
| logD: | 3.5565 |
| logSw: | -4.1586 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.965 |
| InChI Key: | IMYZWLVKODBMAE-SNVBAGLBSA-N |