N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D278-0973 |
| Compound Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C23 H20 N6 O2 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CSc1nnc2ccc3ccccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0055 |
| logD: | 1.972 |
| logSw: | -2.5251 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.613 |
| InChI Key: | KOORISZGPBQDAT-UHFFFAOYSA-N |