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120075-43-6 | 5,8-Quinazolinedione, 6,7-bis(1-aziridinyl)-4-[[3-(dimethylamino)propyl]amino]-
CAS No: 120075-43-6 Catalog No: AG000Q8P MDL No:
Product Description
Catalog Number:
AG000Q8P
Chemical Name:
5,8-Quinazolinedione, 6,7-bis(1-aziridinyl)-4-[[3-(dimethylamino)propyl]amino]-
CAS Number:
120075-43-6
Molecular Formula:
C17H22N6O2
Molecular Weight:
342.3956
IUPAC Name:
6,7-bis(aziridin-1-yl)-4-[3-(dimethylamino)propylamino]quinazoline-5,8-dione
InChI:
InChI=1S/C17H22N6O2/c1-21(2)5-3-4-18-17-11-12(19-10-20-17)16(25)14(23-8-9-23)13(15(11)24)22-6-7-22/h10H,3-9H2,1-2H3,(H,18,19,20)
InChI Key:
VAQMBBQFJFTWPC-UHFFFAOYSA-N
SMILES:
CN(CCCNc1ncnc2c1C(=O)C(=C(C2=O)N1CC1)N1CC1)C
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.18g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.403g/mol
Monoisotopic Mass:
342.18g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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