N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-iodobenzamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-iodobenzamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-iodobenzamide
Compound characteristics
| Compound ID: | Y500-6111 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-iodobenzamide |
| Molecular Weight: | 422.29 |
| Molecular Formula: | C17 H15 I N2 O S |
| Smiles: | C1CCc2c(C#N)c(NC(c3ccccc3I)=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.5723 |
| logD: | 1.028 |
| logSw: | -4.5765 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.432 |
| InChI Key: | GQPCNSNEMBEAFT-UHFFFAOYSA-N |