4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3-fluorobenzoate
Chemical Structure Depiction of
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3-fluorobenzoate
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3-fluorobenzoate
Compound characteristics
| Compound ID: | C263-0049 |
| Compound Name: | 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3-fluorobenzoate |
| Molecular Weight: | 416.47 |
| Molecular Formula: | C21 H21 F N2 O4 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(c1cccc(c1)F)=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4714 |
| logD: | 3.4714 |
| logSw: | -3.9832 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.018 |
| InChI Key: | AIBXXZINLIVUEL-UHFFFAOYSA-N |