N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y205-5335 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide |
| Molecular Weight: | 355.41 |
| Molecular Formula: | C18 H17 N3 O3 S |
| Smiles: | C1CCc2c(C#N)c(NC(Cc3ccccc3[N+]([O-])=O)=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.2263 |
| logD: | 2.6788 |
| logSw: | -4.5041 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.299 |
| InChI Key: | FXEGWKIVKJXNFE-UHFFFAOYSA-N |