1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 4-fluorobenzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 4-fluorobenzoate
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 4-fluorobenzoate
Compound characteristics
Compound ID: | C100-0504 |
Compound Name: | 1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 4-fluorobenzoate |
Molecular Weight: | 384.47 |
Molecular Formula: | C21 H21 F N2 O2 S |
Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(c1ccc(cc1)F)=O)Sc1ccccc1 |
Stereo: | ACHIRAL |
logP: | 4.7346 |
logD: | 4.7346 |
logSw: | -4.6485 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 35.245 |
InChI Key: | WNBQUWTYQPMJJQ-UHFFFAOYSA-N |