3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3,4-dimethoxybenzoate
Chemical Structure Depiction of
3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3,4-dimethoxybenzoate
3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | C100-0069 |
| Compound Name: | 3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3,4-dimethoxybenzoate |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C25 H22 N2 O4 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1ccc(c(c1)OC)OC)=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6405 |
| logD: | 4.6405 |
| logSw: | -4.6039 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.54 |
| InChI Key: | QPHSXFLZBMFIRW-UHFFFAOYSA-N |