N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(5,9-dimethyl[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-[(5,9-dimethyl[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-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D308-0105 |
| Compound Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide |
| Molecular Weight: | 472.57 |
| Molecular Formula: | C25 H24 N6 O2 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CSc1nnc2cc(C)c3cccc(C)c3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9781 |
| logD: | 2.9446 |
| logSw: | -3.2998 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.388 |
| InChI Key: | SBCSIKNQRRARSR-UHFFFAOYSA-N |