2-({[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-({[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-({[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-4028 |
| Compound Name: | 2-({[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 411.86 |
| Molecular Formula: | C20 H14 Cl N3 O3 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(/N=C/c1ccc(c3ccc(c(c3)[N+]([O-])=O)[Cl])o1)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.636 |
| logD: | 5.636 |
| logSw: | -6.4081 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.787 |
| InChI Key: | GQRAOXUAJGOMLH-UHFFFAOYSA-N |