2-({[5-(2,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-({[5-(2,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-({[5-(2,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8005-0199 |
| Compound Name: | 2-({[5-(2,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C22 H19 N3 O3 S |
| Smiles: | Cc1cc(C)c(cc1c1ccc(/C=N/c2c(C#N)c3CCCCc3s2)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.3144 |
| logD: | 6.3144 |
| logSw: | -5.7289 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.787 |
| InChI Key: | ONYQOBOUKNHWRM-UHFFFAOYSA-N |