ethyl 6-cyano-2-[(cyclobutanecarbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-cyano-2-[(cyclobutanecarbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-cyano-2-[(cyclobutanecarbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V004-0856 |
| Compound Name: | ethyl 6-cyano-2-[(cyclobutanecarbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C23 H24 N2 O3 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(C1CCC1)=O)(C#N)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7622 |
| logD: | 1.2078 |
| logSw: | -4.1439 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.106 |
| InChI Key: | IFNDUDXVZBOURM-HSZRJFAPSA-N |