2-{[(2-hydroxy-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-{[(2-hydroxy-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-{[(2-hydroxy-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 0988-0085 |
| Compound Name: | 2-{[(2-hydroxy-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C16 H13 N3 O3 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(/N=C/c1cc(ccc1O)[N+]([O-])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.1035 |
| logD: | 2.9978 |
| logSw: | -4.2124 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.067 |
| InChI Key: | QCAVYHTVSHAWPU-UHFFFAOYSA-N |