1-Methyl-4-[1-methyl-4-[2-[4-(trifluoromethyl)phenylsulfonyl]ethoxycarbonylamino]-2-imidazolylcarbonylamino]-1H-pyrrole-2-carboxylic acid methyl ester

HCID 20740657
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1cc(NC(=O)c2nc(NC(=O)OCCS(=O)(=O)c3ccc(C(F)(F)F)cc3)cn2C)cn1C
InChIKey
PLNCZHHHJGUBPE-UHFFFAOYSA-N
Molecular formula
C22H22F3N5O7S
Average molar mass
557.5 g/mol
Monoisotopic mass
557.11920372

Names & identifiers

Preferred name
1-Methyl-4-[1-methyl-4-[2-[4-(trifluoromethyl)phenylsulfonyl]ethoxycarbonylamino]-2-imidazolylcarbonylamino]-1H-pyrrole-2-carboxylic acid methyl ester
IUPAC
methyl 1-methyl-4-[[1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfonylethoxycarbonylamino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate

Names & synonyms

SCHEMBL68412341-Methyl-4-[1-methyl-4-[2-[4-(trifluoromethyl)phenylsulfonyl]ethoxycarbonylamino]-2-imidazolylcarbonylamino]-1H-pyrrole-2-carboxylic acid methyl ester1-methyl-4-({1-methyl-4-[2-(4-trifluoromethyl-benzenesulfonyl)ethoxycarbonylamino]-1H-imidazole-2-carbonyl}-amino)-1H-pyrrole-2-carboxylic acid methyl ester

Database identifiers

PubChem CID
20740657
Nikkaji
J1.872.981D

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
159 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
10
Heavy atoms
38

Related reactions

2 records
New reaction record

Compound notes

Loading…