2-[(4'-methoxy-5-oxo-1,2,5,6-tetrahydro[1,1'-biphenyl]-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-[(4'-methoxy-5-oxo-1,2,5,6-tetrahydro[1,1'-biphenyl]-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-[(4'-methoxy-5-oxo-1,2,5,6-tetrahydro[1,1'-biphenyl]-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8015-3191 |
| Compound Name: | 2-[(4'-methoxy-5-oxo-1,2,5,6-tetrahydro[1,1'-biphenyl]-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C22 H22 N2 O2 S |
| Smiles: | COc1ccc(cc1)C1CC(=CC(C1)=O)Nc1c(C#N)c2CCCCc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.846 |
| logD: | 0.2651 |
| logSw: | -4.6501 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.309 |
| InChI Key: | BQFVHBQPLUMAHS-HNNXBMFYSA-N |