2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-(5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-(5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-(5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
Compound ID: | 8001-8098 |
Compound Name: | 2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-(5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one |
Molecular Weight: | 321.42 |
Molecular Formula: | C14 H15 N3 O2 S2 |
Smiles: | CC1CC(C)(N(C(CSc2nc3ccccc3s2)=O)N=1)O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.741 |
logD: | 2.741 |
logSw: | -2.8526 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.434 |
InChI Key: | VYVNFXRQAHYKGV-AWEZNQCLSA-N |