3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl propanoate
Chemical Structure Depiction of
3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl propanoate
3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl propanoate
Compound characteristics
| Compound ID: | C100-0296 |
| Compound Name: | 3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl propanoate |
| Molecular Weight: | 352.45 |
| Molecular Formula: | C20 H20 N2 O2 S |
| Smiles: | CCC(=O)Oc1c(c(C)nn1c1ccccc1)Sc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7525 |
| logD: | 4.7525 |
| logSw: | -4.5584 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.955 |
| InChI Key: | JVKDTYYHJCVNBF-UHFFFAOYSA-N |