(R)-methyl 5-(2-nitro-5-(pivaloyloxymethyl)phenylamino)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- CAS
929095-36-3- Standard SMILES
COC(=O)c1sc(Nc2cc(COC(=O)C(C)(C)C)ccc2[N+](=O)[O-])cc1O[C@H](C)c1ccccc1C(F)(F)F- InChIKey
HHSSESJKGVKCQD-OAHLLOKOSA-N- Molecular formula
- C27H27F3N2O7S
- Average molar mass
- 580.6 g/mol
- Monoisotopic mass
- 580.14910686
Names & identifiers
- Preferred name
- (R)-methyl 5-(2-nitro-5-(pivaloyloxymethyl)phenylamino)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxylate
- IUPAC
- methyl 5-[5-(2,2-dimethylpropanoyloxymethyl)-2-nitroanilino]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate
- English name
- (R)-Methyl 5-(2-nitro-5-(pivaloyloxyMethyl)phenylaMino)-3-(1-(2-(trifluoroMethyl)phenyl)ethoxy)thiophene-2-carboxylate
- Molecular formula
- C27H27F3N2O7S
- Molecular weight
- 580.57
Names & synonyms
929095-36-3(R)-methyl 5-(2-nitro-5-(pivaloyloxymethyl)phenylamino)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxylate(R)-methyl 5-((2-nitro-5-((pivaloyloxy)methyl)phenyl)amino)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxylatemethyl 5-[5-(2,2-dimethylpropanoyloxymethyl)-2-nitroanilino]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylateC27H27F3N2O7SSCHEMBL2986549CS-M0518MFCD18642698AKOS037650115CS-14299DB-247562C12265
Show more names
F788711(R)-methyl5-(2-nitro-5-(pivaloyloxymethyl)phenylamino)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxylate2-Thiophenecarboxylic acid, 5-[[5-[(2,2-dimethyl-1-oxopropoxy)methyl]-2-nitrophenyl]amino]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]-, methyl estermethyl (R)-5-((2-nitro-5-((pivaloyloxy)methyl)phenyl)amino)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxylateMethyl 5-[(5-{[(2,2-dimethylpropanoyl)oxy]methyl}-2-nitrophenyl)amino]-3-({(1R)-1-[2-(trifluoromethyl)phenyl]ethyl}oxy)thiophene-2-carboxylatemethyl 5-[5-(2,2-dimethylpropanoyloxymethyl)-2-nitro-anilino]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate
Properties
Computed structural propertiesFilling in
- XLogP
- 7.9
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 895
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…