1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 4-methoxybenzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 4-methoxybenzoate
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 4-methoxybenzoate
Compound characteristics
| Compound ID: | C100-0509 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 4-methoxybenzoate |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C22 H24 N2 O3 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(c1ccc(cc1)OC)=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6879 |
| logD: | 4.6879 |
| logSw: | -4.549 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.789 |
| InChI Key: | FXQIKLGVOHOQLH-UHFFFAOYSA-N |