N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-iodo-1-methyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-iodo-1-methyl-1H-pyrazole-5-carboxamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-iodo-1-methyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y501-9903 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-iodo-1-methyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 426.28 |
| Molecular Formula: | C15 H15 I N4 O S |
| Smiles: | Cn1c(C(Nc2c(C#N)c3CCCCCc3s2)=O)c(cn1)I |
| Stereo: | ACHIRAL |
| logP: | 3.5281 |
| logD: | -0.0851 |
| logSw: | -4.017 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.948 |
| InChI Key: | DZARLTOBERJNDO-UHFFFAOYSA-N |