1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2,3-dimethoxybenzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2,3-dimethoxybenzoate
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2,3-dimethoxybenzoate
Compound characteristics
| Compound ID: | C100-0523 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2,3-dimethoxybenzoate |
| Molecular Weight: | 426.53 |
| Molecular Formula: | C23 H26 N2 O4 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(c1cccc(c1OC)OC)=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.718 |
| logD: | 4.718 |
| logSw: | -4.7679 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.593 |
| InChI Key: | KELLFDADFROCTG-UHFFFAOYSA-N |