2-{[(2,4-dichloro-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-{[(2,4-dichloro-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-{[(2,4-dichloro-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-6579 |
| Compound Name: | 2-{[(2,4-dichloro-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 380.25 |
| Molecular Formula: | C16 H11 Cl2 N3 O2 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(/N=C/c1cc(c(cc1[Cl])[Cl])[N+]([O-])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.4583 |
| logD: | 5.4583 |
| logSw: | -6.4084 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.218 |
| InChI Key: | HBBLCECUWFSMPT-UHFFFAOYSA-N |