N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)quinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)quinoline-4-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y501-7294 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)quinoline-4-carboxamide |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C25 H23 N5 O S |
| Smiles: | Cc1c(c2cc(C(Nc3c(C#N)c4CCCCc4s3)=O)c3ccccc3n2)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2138 |
| logD: | 3.2586 |
| logSw: | -4.4021 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63 |
| InChI Key: | MAKMLIKPFOARDP-UHFFFAOYSA-N |