(R)-2-(4-(4-chlorobenzyl)-5-methyl-4H-1,2,4-triazol-3-yl)-N-((S)-7-cyanochroman-4-yl)pyrrolidine-1-carboxamide

Base Information

• Chemical Name: (R)-2-(4-(4-chlorobenzyl)-5-methyl-4H-1,2,4-triazol-3-yl)-N-((S)-7-cyanochroman-4-yl)pyrrolidine-1-carboxamide
• CAS No.: 1140490-71-6
• Molecular Formula: C25H25ClN6O2
• DSSTox Substance ID: DTXSID30705172
• Wikidata: Q82637923

Synonyms:1140490-71-6;(R)-2-(4-(4-chlorobenzyl)-5-methyl-4H-1,2,4-triazol-3-yl)-N-((S)-7-cyanochroman-4-yl)pyrrolidine-1-carboxamide;DTXSID30705172;(2R)-2-{4-[(4-Chlorophenyl)methyl]-5-methyl-4H-1,2,4-triazol-3-yl}-N-[(4S)-7-cyano-3,4-dihydro-2H-1-benzopyran-4-yl]pyrrolidine-1-carboxamide

Chemical Property of (R)-2-(4-(4-chlorobenzyl)-5-methyl-4H-1,2,4-triazol-3-yl)-N-((S)-7-cyanochroman-4-yl)pyrrolidine-1-carboxamide

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 476.1727518
• Heavy Atom Count: 34
• Complexity: 768

Purity/Quality:

99% ^*data from raw suppliers

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN=C(N1CC2=CC=C(C=C2)Cl)C3CCCN3C(=O)NC4CCOC5=C4C=CC(=C5)C#N
• Isomeric SMILES: CC1=NN=C(N1CC2=CC=C(C=C2)Cl)[C@H]3CCCN3C(=O)N[C@H]4CCOC5=C4C=CC(=C5)C#N

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