1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2-ethoxybenzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2-ethoxybenzoate
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2-ethoxybenzoate
Compound characteristics
| Compound ID: | C100-0469 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2-ethoxybenzoate |
| Molecular Weight: | 410.53 |
| Molecular Formula: | C23 H26 N2 O3 S |
| Smiles: | CCOc1ccccc1C(=O)Oc1c(c(C)nn1C(C)(C)C)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2196 |
| logD: | 5.2196 |
| logSw: | -5.1015 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.456 |
| InChI Key: | OGGIZIHIGRQMTA-UHFFFAOYSA-N |