1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 4-methoxybenzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 4-methoxybenzoate
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 4-methoxybenzoate
Compound characteristics
| Compound ID: | C100-0782 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 4-methoxybenzoate |
| Molecular Weight: | 410.53 |
| Molecular Formula: | C23 H26 N2 O3 S |
| Smiles: | Cc1ccc(cc1)Sc1c(C)nn(c1OC(c1ccc(cc1)OC)=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.2963 |
| logD: | 5.2963 |
| logSw: | -5.3353 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.789 |
| InChI Key: | GDNOWAWKFXNAFW-UHFFFAOYSA-N |