1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 2-phenoxypropanoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 2-phenoxypropanoate
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 2-phenoxypropanoate
Compound characteristics
Compound ID: | C100-0562 |
Compound Name: | 1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 2-phenoxypropanoate |
Molecular Weight: | 455.53 |
Molecular Formula: | C23 H25 N3 O5 S |
Smiles: | CC(C(=O)Oc1c(c(C)nn1C(C)(C)C)Sc1ccccc1[N+]([O-])=O)Oc1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.8263 |
logD: | 4.8263 |
logSw: | -4.6528 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 75.115 |
InChI Key: | DZYKFUHFTLVDED-INIZCTEOSA-N |