2-{[(4-methyl-3-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-{[(4-methyl-3-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-{[(4-methyl-3-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8007-8322 |
| Compound Name: | 2-{[(4-methyl-3-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 325.39 |
| Molecular Formula: | C17 H15 N3 O2 S |
| Smiles: | Cc1ccc(/C=N/c2c(C#N)c3CCCCc3s2)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6002 |
| logD: | 4.6002 |
| logSw: | -4.708 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.218 |
| InChI Key: | YUHBRHMBDPXBNP-UHFFFAOYSA-N |