N~5~-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N~3~,N~3~-diethyl-1-methyl-1H-pyrazole-3,5-dicarboxamide
Chemical Structure Depiction of
N~5~-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N~3~,N~3~-diethyl-1-methyl-1H-pyrazole-3,5-dicarboxamide
N~5~-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N~3~,N~3~-diethyl-1-methyl-1H-pyrazole-3,5-dicarboxamide
Compound characteristics
| Compound ID: | Y501-2187 |
| Compound Name: | N~5~-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N~3~,N~3~-diethyl-1-methyl-1H-pyrazole-3,5-dicarboxamide |
| Molecular Weight: | 385.49 |
| Molecular Formula: | C19 H23 N5 O2 S |
| Smiles: | CCN(CC)C(c1cc(C(Nc2c(C#N)c3CCCCc3s2)=O)n(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3324 |
| logD: | -1.3949 |
| logSw: | -2.9349 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.549 |
| InChI Key: | HZWZMXNTLGZTBP-UHFFFAOYSA-N |