3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3-methylbutanoate
Chemical Structure Depiction of
3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3-methylbutanoate
3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3-methylbutanoate
Compound characteristics
| Compound ID: | C100-0012 |
| Compound Name: | 3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3-methylbutanoate |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C21 H22 N2 O2 S |
| Smiles: | CC(C)CC(=O)Oc1c(c(C)nn1c1ccccc1)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.967 |
| logD: | 4.967 |
| logSw: | -4.6283 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.955 |
| InChI Key: | XPRZONLFLOSUJJ-UHFFFAOYSA-N |