A-83-01
CAS: 909910-43-6
| 1 | A-83-01 |
| 2 | A83-01 |
| 3 | Stemolecule A83-01 |
| 4 | X3ZNM7QJ2Q |
| 5 | A8301 |
3-(6-methylpyridin-2-yl)-N-phenyl-4-(quinolin-4-yl)-1H-pyrazole-1-carbothioamide is an organic molecular entity.
| Molecular Formula | C25H19N5S |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 421.5000 |
| InChIKey | HIJMSZGHKQPPJS-UHFFFAOYSA-N |
| InChI | InChI=1S/C25H19N5S/c1-17-8-7-13-23(27-17)24-21(19-14-15-26-22-12-6-5-11-20(19)22)16-30(29-24)25(31)28-18-9-3-2-4-10-18/h2-16H,1H3,(H,28,31) |
| XLogP | 5.0000 |
| ExactMass | 421.1361 |
| MonoisotopicMass | 421.1361 |
| TPSA | 87.7000 |
| Complexity | 609.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 3 |
| HeavyAtomCount | 31 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 3859 |
| PatentFamilyCount | 1721 |
| LiteratureCount | 804 |