4-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
4-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-5021 |
| Compound Name: | 4-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 334.82 |
| Molecular Formula: | C15 H15 Cl N4 O S |
| Smiles: | Cn1c(C(Nc2c(C#N)c3CCCCCc3s2)=O)c(cn1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3008 |
| logD: | -0.3125 |
| logSw: | -3.9756 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.948 |
| InChI Key: | WMEJVQUFCKGHSU-UHFFFAOYSA-N |