2-{[(2-chloro-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-{[(2-chloro-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-{[(2-chloro-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8004-7552 |
| Compound Name: | 2-{[(2-chloro-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 345.8 |
| Molecular Formula: | C16 H12 Cl N3 O2 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(/N=C/c1cc(ccc1[Cl])[N+]([O-])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.9726 |
| logD: | 4.9726 |
| logSw: | -5.4563 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.519 |
| InChI Key: | UETCNRYATOEOAD-UHFFFAOYSA-N |