2-(2-nitroanilino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-(2-nitroanilino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-(2-nitroanilino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8011-8437 |
| Compound Name: | 2-(2-nitroanilino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 299.35 |
| Molecular Formula: | C15 H13 N3 O2 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(Nc1ccccc1[N+]([O-])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.4036 |
| logD: | 4.4035 |
| logSw: | -4.5625 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.305 |
| InChI Key: | BSOCREKRSSBXNK-UHFFFAOYSA-N |