Pencardin

Base Information

• Chemical Name: Pencardin
• CAS No.: 80186-95-4
• Molecular Formula: C57H80ClN13O15
• Molecular Weight: 1042.63
• Mol file: 80186-95-4.mol

Synonyms:Pencardin

Chemical Property of Pencardin

Chemical Property:

• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 16
• Exact Mass: 1221.5585366
• Heavy Atom Count: 86
• Complexity: 1170

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CCOC1=C(C=C(C=C1)C=C2C3=CC(=C(C=C3CCN2)OCC)OCC)OCC.CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N.C(C(CO)(CO)CO)O.Cl
• Isomeric SMILES: CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CCOC1=C(C=C(C=C1)/C=C/2\C3=CC(=C(C=C3CCN2)OCC)OCC)OCC.CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N.C(C(CO)(CO)CO)O.Cl