ethyl 6-methyl-2-(2-methylbut-2-enamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-methyl-2-(2-methylbut-2-enamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-methyl-2-(2-methylbut-2-enamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V013-1704 |
| Compound Name: | ethyl 6-methyl-2-(2-methylbut-2-enamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 321.44 |
| Molecular Formula: | C17 H23 N O3 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(C(\C)=C\C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1616 |
| logD: | 0.1975 |
| logSw: | -4.1417 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.07 |
| InChI Key: | LTOPDEJGMOYYHB-SNVBAGLBSA-N |