1-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]-3-phenylprop-2-en-1-one
Chemical Structure Depiction of
1-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]-3-phenylprop-2-en-1-one
1-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]-3-phenylprop-2-en-1-one
Compound characteristics
| Compound ID: | 3335-0107 |
| Compound Name: | 1-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]-3-phenylprop-2-en-1-one |
| Molecular Weight: | 334.44 |
| Molecular Formula: | C20 H18 N2 O S |
| Smiles: | Cc1c(c(C)n(C(/C=C/c2ccccc2)=O)n1)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9324 |
| logD: | 3.9324 |
| logSw: | -4.1381 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.0533 |
| InChI Key: | BLRKPCXKQWKRKQ-UHFFFAOYSA-N |