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84930-04-1 | 2-methyl-3-[[4-(6-methylbenzothiazol-2-yl)phenyl]azo]pyrazolo[5,1-b]quinazoline-9(1H)-one, mono[(4-methyl-1H-imidazolyl)methyl] monosulpho derivative
CAS No: 84930-04-1 Catalog No: AG00GKTK MDL No:
Product Description
Catalog Number:
AG00GKTK
Chemical Name:
2-methyl-3-[[4-(6-methylbenzothiazol-2-yl)phenyl]azo]pyrazolo[5,1-b]quinazoline-9(1H)-one, mono[(4-methyl-1H-imidazolyl)methyl] monosulpho derivative
CAS Number:
84930-04-1
IUPAC Name:
2-methyl-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]diazenyl]-8-[(5-methyl-1H-imidazol-3-ium-2-yl)methoxysulfonyl]-1,2-dihydropyrazolo[5,1-b]quinazolin-9-olate
InChI:
InChI=1S/C30H26N8O4S2/c1-16-7-12-21-23(13-16)43-29(34-21)19-8-10-20(11-9-19)35-36-27-18(3)37-38-28(27)33-22-5-4-6-24(26(22)30(38)39)44(40,41)42-15-25-31-14-17(2)32-25/h4-14,18,37,39H,15H2,1-3H3,(H,31,32)
InChI Key:
RNLSMFVCCBVWOJ-UHFFFAOYSA-N
EC Number:
284-584-4
Properties
Complexity:
1440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
626.152g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
626.71g/mol
Monoisotopic Mass:
626.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
198A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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