2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y020-1197 |
| Compound Name: | 2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 337.4 |
| Molecular Formula: | C18 H15 N3 O2 S |
| Smiles: | C1C=NN(C1c1ccccc1)C(CSc1nc2ccccc2o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8012 |
| logD: | 3.8012 |
| logSw: | -4.08 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.076 |
| InChI Key: | HFKPVICIWZJTSG-HNNXBMFYSA-N |