(6S)-Vorapaxar

Base Information

• Chemical Name: (6S)-Vorapaxar
• CAS No.: 618385-10-7
• Molecular Formula: C29H33FN2O4
• Molecular Weight: 492.6
• Mol file: 618385-10-7.mol

Synonyms:(6S)-Vorapaxar;618385-10-7;SCHEMBL14203472;F19288

Chemical Property of (6S)-Vorapaxar

Chemical Property:

• PKA: 12.49±0.60(Predicted)
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 492.24243570
• Heavy Atom Count: 36
• Complexity: 821

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)NC1CCC2C(C1)CC3C(C2C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F)C(OC3=O)C
• Isomeric SMILES: CCOC(=O)N[C@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@H]([C@H]2/C=C/C4=NC=C(C=C4)C5=CC(=CC=C5)F)[C@H](OC3=O)C