2-({[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-({[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-({[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 2082-0336 |
| Compound Name: | 2-({[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 535.21 |
| Molecular Formula: | C20 H13 Br2 N3 O3 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(/N=C/c1ccc(c3c(cc(cc3[Br])[N+]([O-])=O)[Br])o1)s2 |
| Stereo: | ACHIRAL |
| logP: | 7.0692 |
| logD: | 7.0692 |
| logSw: | -6.2511 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.088 |
| InChI Key: | QAQCVBQVTKLYME-UHFFFAOYSA-N |