Methyl[3-amino-5-(trifluoromethyl)benzyl]{[5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}carbamate

HCID 11699642

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)N(Cc1cc(N)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OC
InChIKey: GEVMLVWUWXINQG-UHFFFAOYSA-N
Molecular formula: C28H28F6N2O3
Average molar mass: 554.5 g/mol

Names & identifiers

Preferred name: Methyl[3-amino-5-(trifluoromethyl)benzyl]{[5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}carbamate
IUPAC: methyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]-N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate

Names & synonyms

methyl[3-amino-5-(trifluoromethyl)benzyl]{[5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}carbamateSCHEMBL3553312

Database identifiers

PubChem CID: 11699642

Properties

Computed structural properties

XLogP: 6.9
Topological polar surface area: 64.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 10
Rotatable bonds: 8
Heavy atoms: 39
Formal charge: 0
Complexity: 792

Related reactions

9 records

New reaction record

HRID 17069As productuspto-grants-2010_06

HRID 17070As reactantuspto-grants-2010_06

HRID 17073As reactantuspto-grants-2010_06

HRID 217512As productuspto-grants-2012_06

HRID 217513As reactantuspto-grants-2012_06

HRID 217516As reactantuspto-grants-2012_06

HRID 809801As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1536963As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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