AC1M4VIE

[4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate

Also Known As: CBMicro_044778|BIM-0044630.P001|4-[(2,4,6-Trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 4-nitrobenzene-1-sulfonate|[4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate|SR-01000227166-1|4-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenyl 4-nitrobenzenesulfonate|4-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-nitrobenzene-1-sulfonate

Molecular Formula	C17H11N3O8S
Molecular Weight	417.02667 g/mol
LogP	1.1119
Topological Polar Surface Area	161.78 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	417.02667
Monoisotopic Mass	417.02667
Heavy Atoms	29
Complexity	1130.1691

Chemical Identifiers

CAS Number	6086-95-9
SMILES	C1=CC(=CC=C1C=C2C(=O)NC(=O)NC2=O)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]