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81215-75-0 | 3-(3-HYDROXYPROPYL)-3,4,7,12-TETRAHYDRO-1H-(1,2,5)TRIAZEPINO[1,2-B]PHTHALAZINE-1,5(2H)-DIONE
CAS No: 81215-75-0 Catalog No: AG0054W0 MDL No:
Product Description
Catalog Number:
AG0054W0
Chemical Name:
3-(3-HYDROXYPROPYL)-3,4,7,12-TETRAHYDRO-1H-(1,2,5)TRIAZEPINO[1,2-B]PHTHALAZINE-1,5(2H)-DIONE
CAS Number:
81215-75-0
Molecular Formula:
C15H19N3O3
Molecular Weight:
289.3297
IUPAC Name:
3-(3-hydroxypropyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione
InChI:
InChI=1S/C15H19N3O3/c19-7-3-6-16-10-14(20)17-8-12-4-1-2-5-13(12)9-18(17)15(21)11-16/h1-2,4-5,19H,3,6-11H2
InChI Key:
MCYMXYGMDVCKCF-UHFFFAOYSA-N
SMILES:
OCCCN1CC(=O)N2N(C(=O)C1)Cc1c(C2)cccc1
UNII:
DW0Z3FV7XP
NSC Number:
340351
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.143g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.335g/mol
Monoisotopic Mass:
289.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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