N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5-dinitrobenzamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 0848-0066 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5-dinitrobenzamide |
| Molecular Weight: | 372.36 |
| Molecular Formula: | C16 H12 N4 O5 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.6417 |
| logD: | -1.239 |
| logSw: | -4.1889 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.864 |
| InChI Key: | UNBXCLJYXITCQH-UHFFFAOYSA-N |