N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-nitrobenzamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-nitrobenzamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-nitrobenzamide
Compound characteristics
| Compound ID: | 3379-0968 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-nitrobenzamide |
| Molecular Weight: | 341.39 |
| Molecular Formula: | C17 H15 N3 O3 S |
| Smiles: | C1CCc2c(C#N)c(NC(c3ccccc3[N+]([O-])=O)=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.8618 |
| logD: | -1.1926 |
| logSw: | -4.394 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.512 |
| InChI Key: | LJFXIALEZOGVSK-UHFFFAOYSA-N |