1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 2,3-dimethoxybenzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 2,3-dimethoxybenzoate
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 2,3-dimethoxybenzoate
Compound characteristics
| Compound ID: | C100-0796 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 2,3-dimethoxybenzoate |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C24 H28 N2 O4 S |
| Smiles: | Cc1ccc(cc1)Sc1c(C)nn(c1OC(c1cccc(c1OC)OC)=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.3265 |
| logD: | 5.3265 |
| logSw: | -5.4134 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.593 |
| InChI Key: | WKJZJQSSVBATGK-UHFFFAOYSA-N |