2-{[(4-ethyl-3-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-{[(4-ethyl-3-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-{[(4-ethyl-3-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8014-5063 |
| Compound Name: | 2-{[(4-ethyl-3-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 339.41 |
| Molecular Formula: | C18 H17 N3 O2 S |
| Smiles: | CCc1ccc(/C=N/c2c(C#N)c3CCCCc3s2)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9856 |
| logD: | 4.9856 |
| logSw: | -4.9291 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.218 |
| InChI Key: | ZZEMORWHXNLLSR-UHFFFAOYSA-N |