1H-Pyrrole-3-acetic acid, 2,5-dihydro-1-(2-methoxyphenyl)-4-((4-methylphenyl)amino)-5-oxo-2-phenyl-
Basic information
- CAS
148930-18-1- Standard SMILES
Cc1ccc(NC2=C(CC(=O)O)C(c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1- InChIKey
VCMHRZWYIXKDQZ-UHFFFAOYSA-N- Molecular formula
- C26H24N2O3
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.17869263
Names & identifiers
- Preferred name
- 1H-Pyrrole-3-acetic acid, 2,5-dihydro-1-(2-methoxyphenyl)-4-((4-methylphenyl)amino)-5-oxo-2-phenyl-
- IUPAC
- 2-[4-(4-methylanilino)-1-(4-methylphenyl)-5-oxo-2-phenyl-2H-pyrrol-3-yl]acetic acid
Names & synonyms
148930-18-11H-Pyrrole-3-acetic acid, 2,5-dihydro-1-(2-methoxyphenyl)-4-((4-methylphenyl)amino)-5-oxo-2-phenyl-RefChem:240565MLS000555094HMS2514B04ChemDiv1_021720CHEMBL1525234HMS648L06DTXSID60933507AKOS000564572AKOS024302551NCGC00245155-01
Show more names
SMR000171568ST50003432SR-01000435021SR-01000435021-1(5-Oxo-2-phenyl-1-p-tolyl-4-p-tolylamino-2,5-dihydro-1H-pyrrol-3-yl)-acetic acid[4-(4-Methylanilino)-1-(4-methylphenyl)-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-3-yl]acetic acid2-{1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-5-oxo-2-phenyl-3-pyrrolin-3-yl }acetic acid
Database identifiers
- CAS
148930-18-1- PubChem CID
- 3073463
- DTXSID
DTXSID60933507- ChEMBL
CHEMBL1525234- Nikkaji
- J529.713C
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 681
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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