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81215-79-4 | 3-(3-(4-MORPHOLINYL)PROPYL)-3,4,7,12-TETRAHYDRO-1H-(1,2,5)TRIAZEPINO[1,2-B]PHTHALAZINE-1,5(2H)-DIONE
CAS No: 81215-79-4 Catalog No: AG0054VZ MDL No:
Product Description
Catalog Number:
AG0054VZ
Chemical Name:
3-(3-(4-MORPHOLINYL)PROPYL)-3,4,7,12-TETRAHYDRO-1H-(1,2,5)TRIAZEPINO[1,2-B]PHTHALAZINE-1,5(2H)-DIONE
CAS Number:
81215-79-4
Molecular Formula:
C19H26N4O3
Molecular Weight:
358.4347
IUPAC Name:
3-(3-morpholin-4-ylpropyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione
InChI:
InChI=1S/C19H26N4O3/c24-18-14-21(7-3-6-20-8-10-26-11-9-20)15-19(25)23-13-17-5-2-1-4-16(17)12-22(18)23/h1-2,4-5H,3,6-15H2
InChI Key:
LKSOKXVSPAARAE-UHFFFAOYSA-N
SMILES:
O=C1CN(CCCN2CCOCC2)CC(=O)N2N1Cc1ccccc1C2
UNII:
2YNZ2J07FT
NSC Number:
340356
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.2g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.442g/mol
Monoisotopic Mass:
358.2g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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