CID 9578245

Base Information

• Chemical Name: CID 9578245
• CAS No.: 143488-32-8
• Molecular Formula: C41H41 F N10 O12 S2
• Molecular Weight: 948.9524
• Mol file: 143488-32-8.mol

Synonyms:Ro 25-0534;Ro-25-0534

Chemical Property of CID 9578245

Chemical Property:

• Density: 1.767g/cm³
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 13
• Exact Mass: 948.23308729
• Heavy Atom Count: 66
• Complexity: 2100

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C(=O)NNC(=O)C1=CC(=C(C=C1)O)O)ON=C(C2=CSC(=N2)N)C(=O)NC3C4N(C3=O)C(=C(CS4)CN5CCN(CC5)C6=C(C=C7C(=C6)N(C=C(C7=O)C(=O)O)C8CC8)F)C(=O)O
• Isomeric SMILES: CC(C)(C(=O)NNC(=O)C1=CC(=C(C=C1)O)O)O/N=C(/C2=CSC(=N2)N)\C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CN5CCN(CC5)C6=C(C=C7C(=C6)N(C=C(C7=O)C(=O)O)C8CC8)F)C(=O)O