N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-0856 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 286.35 |
| Molecular Formula: | C14 H14 N4 O S |
| Smiles: | Cn1ccc(C(Nc2c(C#N)c3CCCCc3s2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.0079 |
| logD: | 0.2065 |
| logSw: | -2.6345 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.793 |
| InChI Key: | ZZKVQWPMKSKGBQ-UHFFFAOYSA-N |