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81215-78-3 | 3-(2-(4-MORPHOLINYL)ETHYL)-3,4,7,12-TETRAHYDRO-1H-(1,2,5)TRIAZEPINO[1,2-B]PHTHALAZINE-1,5(2H)-DIONE
CAS No: 81215-78-3 Catalog No: AG005FAN MDL No:
Product Description
Catalog Number:
AG005FAN
Chemical Name:
3-(2-(4-MORPHOLINYL)ETHYL)-3,4,7,12-TETRAHYDRO-1H-(1,2,5)TRIAZEPINO[1,2-B]PHTHALAZINE-1,5(2H)-DIONE
CAS Number:
81215-78-3
Molecular Formula:
C18H24N4O3
Molecular Weight:
344.4082
IUPAC Name:
3-(2-morpholin-4-ylethyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione
InChI:
InChI=1S/C18H24N4O3/c23-17-13-20(6-5-19-7-9-25-10-8-19)14-18(24)22-12-16-4-2-1-3-15(16)11-21(17)22/h1-4H,5-14H2
InChI Key:
PJDHJGZYVKDVRD-UHFFFAOYSA-N
SMILES:
O=C1CN(CCN2CCOCC2)CC(=O)N2N1Cc1ccccc1C2
UNII:
D18CHP2ID1
NSC Number:
340355
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.185g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.415g/mol
Monoisotopic Mass:
344.185g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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