1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate
1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | C100-0707 |
| Compound Name: | 1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 491.01 |
| Molecular Formula: | C24 H27 Cl N2 O5 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(c1cc(c(c(c1)OC)OC)OC)=O)Sc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9167 |
| logD: | 4.9167 |
| logSw: | -5.2121 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.223 |
| InChI Key: | HECDHEIGQNJGQO-UHFFFAOYSA-N |