3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl propanoate
Chemical Structure Depiction of
3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl propanoate
3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl propanoate
Compound characteristics
| Compound ID: | C100-0023 |
| Compound Name: | 3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl propanoate |
| Molecular Weight: | 338.43 |
| Molecular Formula: | C19 H18 N2 O2 S |
| Smiles: | CCC(=O)Oc1c(c(C)nn1c1ccccc1)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.144 |
| logD: | 4.144 |
| logSw: | -4.1698 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.955 |
| InChI Key: | CNRAALVBAMHDSI-UHFFFAOYSA-N |