N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)quinoline-4-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)quinoline-4-carboxamide--hydrogen chloride (1/1)
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)quinoline-4-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | Y502-5910 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)quinoline-4-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 478.01 |
| Molecular Formula: | C25 H23 N5 O S |
| Salt: | HCl |
| Smiles: | CCn1cc(c2cc(C(Nc3c(C#N)c4CCCCc4s3)=O)c3ccccc3n2)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.7561 |
| logD: | 3.8009 |
| logSw: | -4.6546 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.015 |
| InChI Key: | DXQQNJMMJXLMGQ-UHFFFAOYSA-N |