2-{[(3-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-{[(3-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-{[(3-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 0848-0150 |
| Compound Name: | 2-{[(3-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 311.36 |
| Molecular Formula: | C16 H13 N3 O2 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(/N=C/c1cccc(c1)[N+]([O-])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.0714 |
| logD: | 4.0714 |
| logSw: | -4.4277 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.519 |
| InChI Key: | UDOGZYLMLNPBFB-UHFFFAOYSA-N |