2-[(4-tert-butylphenyl)sulfanyl]-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4-tert-butylphenyl)sulfanyl]-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
2-[(4-tert-butylphenyl)sulfanyl]-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8006-5034 |
| Compound Name: | 2-[(4-tert-butylphenyl)sulfanyl]-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 302.44 |
| Molecular Formula: | C17 H22 N2 O S |
| Smiles: | Cc1cc(C)n(C(CSc2ccc(cc2)C(C)(C)C)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8445 |
| logD: | 3.8445 |
| logSw: | -3.8453 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.7785 |
| InChI Key: | VRZCUHAGBJLNQQ-UHFFFAOYSA-N |