ethyl 6-cyano-2-({5-[(4-methylphenyl)methyl]furan-2-carbonyl}amino)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-cyano-2-({5-[(4-methylphenyl)methyl]furan-2-carbonyl}amino)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-cyano-2-({5-[(4-methylphenyl)methyl]furan-2-carbonyl}amino)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3379-0927 |
| Compound Name: | ethyl 6-cyano-2-({5-[(4-methylphenyl)methyl]furan-2-carbonyl}amino)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 524.64 |
| Molecular Formula: | C31 H28 N2 O4 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(c1ccc(Cc2ccc(C)cc2)o1)=O)(C#N)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8048 |
| logD: | 4.0784 |
| logSw: | -5.7854 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.153 |
| InChI Key: | PMXCZZKQXLORJL-WJOKGBTCSA-N |