ethyl 2-pentanamido-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-pentanamido-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-pentanamido-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V021-3679 |
| Compound Name: | ethyl 2-pentanamido-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 385.52 |
| Molecular Formula: | C22 H27 N O3 S |
| Smiles: | CCCCC(Nc1c(C(=O)OCC)c2CCC(Cc2s1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4069 |
| logD: | 3.1037 |
| logSw: | -5.3725 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.585 |
| InChI Key: | GSMDTAFREUOBAC-MRXNPFEDSA-N |