1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2,4-dimethoxybenzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2,4-dimethoxybenzoate
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | C100-0534 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2,4-dimethoxybenzoate |
| Molecular Weight: | 426.53 |
| Molecular Formula: | C23 H26 N2 O4 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(c1ccc(cc1OC)OC)=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9652 |
| logD: | 4.9652 |
| logSw: | -4.7732 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.42 |
| InChI Key: | JEJRSCFSGWLODJ-UHFFFAOYSA-N |