3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate
3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | C100-0070 |
| Compound Name: | 3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C26 H24 N2 O5 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1cc(c(c(c1)OC)OC)OC)=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5679 |
| logD: | 4.5679 |
| logSw: | -4.5618 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.257 |
| InChI Key: | QTOSPLAUWLGNFW-UHFFFAOYSA-N |