N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitrobenzamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | 0848-0064 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitrobenzamide |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C16 H13 N3 O3 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1cccc(c1)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.623 |
| logD: | -0.1198 |
| logSw: | -4.1641 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.482 |
| InChI Key: | JROHCBIHZZTQHG-UHFFFAOYSA-N |