2-(2-bromophenoxy)-1-{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(2-bromophenoxy)-1-{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}ethan-1-one
2-(2-bromophenoxy)-1-{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | 5795-0033 |
| Compound Name: | 2-(2-bromophenoxy)-1-{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}ethan-1-one |
| Molecular Weight: | 431.35 |
| Molecular Formula: | C20 H19 Br N2 O2 S |
| Smiles: | Cc1ccc(cc1)Sc1c(C)nn(C(COc2ccccc2[Br])=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.4106 |
| logD: | 4.4106 |
| logSw: | -4.4272 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.639 |
| InChI Key: | DUSBDLIMZIVHFN-UHFFFAOYSA-N |