Chemical Property of CID 9578286
Chemical Property:
- Boiling Point:°Cat760mmHg
- Flash Point:°C
- PSA:293.35000
- Density:g/cm3
- LogP:0.38210
- XLogP3:1.9
- Hydrogen Bond Donor Count:3
- Hydrogen Bond Acceptor Count:15
- Rotatable Bond Count:10
- Exact Mass:660.12430878
- Heavy Atom Count:44
- Complexity:1250
- Purity/Quality:
-
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:CCN(CC1=C(N2C(C(C2=O)NC(=O)C(=NOC(C)(C)C(=O)O)C3=CSC(=N3)N)SC1)C(=O)[O-])C4=C5C=CSC5=[N+](C=N4)C
- Isomeric SMILES:CCN(CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC(C)(C)C(=O)O)/C3=CSC(=N3)N)SC1)C(=O)[O-])C4=C5C=CSC5=[N+](C=N4)C