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81215-80-7 | 3-(2-PIPERIDIN-1-YLETHYL)-3,4,7,12-TETRAHYDRO-1H-(1,2,5)TRIAZEPINO[1,2-B]PHTHALAZINE-1,5(2H)-DIONE
CAS No: 81215-80-7 Catalog No: AG004Z5I MDL No:
Product Description
Catalog Number:
AG004Z5I
Chemical Name:
3-(2-PIPERIDIN-1-YLETHYL)-3,4,7,12-TETRAHYDRO-1H-(1,2,5)TRIAZEPINO[1,2-B]PHTHALAZINE-1,5(2H)-DIONE
CAS Number:
81215-80-7
Molecular Formula:
C19H26N4O2
Molecular Weight:
342.4353
IUPAC Name:
3-(2-piperidin-1-ylethyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione
InChI:
InChI=1S/C19H26N4O2/c24-18-14-21(11-10-20-8-4-1-5-9-20)15-19(25)23-13-17-7-3-2-6-16(17)12-22(18)23/h2-3,6-7H,1,4-5,8-15H2
InChI Key:
YHILIFSWFBZPBA-UHFFFAOYSA-N
SMILES:
O=C1CN(CCN2CCCCC2)CC(=O)N2N1Cc1ccccc1C2
UNII:
1NW0N1V3IO
NSC Number:
340357
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.206g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.443g/mol
Monoisotopic Mass:
342.206g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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