2-{[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-{[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-{[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8007-3795 |
| Compound Name: | 2-{[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C18 H16 N2 O3 S |
| Smiles: | COc1cc(/C=N/c2c(C#N)c3CCCCc3s2)cc2c1OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.121 |
| logD: | 4.121 |
| logSw: | -4.313 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.567 |
| InChI Key: | RWBOKVNAAGIFND-UHFFFAOYSA-N |