1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | C100-0525 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 456.56 |
| Molecular Formula: | C24 H28 N2 O5 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(c1cc(c(c(c1)OC)OC)OC)=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1369 |
| logD: | 4.1369 |
| logSw: | -4.4176 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.223 |
| InChI Key: | PDOBKVKGWZVTGK-UHFFFAOYSA-N |