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81215-70-5 | 3-(3-CHLOROBENZYL)-3,4,7,12-TETRAHYDRO-1H-(1,2,5)TRIAZEPINO[1,2-B]PHTHALAZINE-1,5(2H)-DIONE
CAS No: 81215-70-5 Catalog No: AG0054W2 MDL No:
Product Description
Catalog Number:
AG0054W2
Chemical Name:
3-(3-CHLOROBENZYL)-3,4,7,12-TETRAHYDRO-1H-(1,2,5)TRIAZEPINO[1,2-B]PHTHALAZINE-1,5(2H)-DIONE
CAS Number:
81215-70-5
Molecular Formula:
C19H18ClN3O2
Molecular Weight:
355.8181
IUPAC Name:
3-[(3-chlorophenyl)methyl]-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione
InChI:
InChI=1S/C19H18ClN3O2/c20-17-7-3-4-14(8-17)9-21-12-18(24)22-10-15-5-1-2-6-16(15)11-23(22)19(25)13-21/h1-8H,9-13H2
InChI Key:
QMZHOPRQSGJBFC-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)CN1CC(=O)N2N(C(=O)C1)Cc1c(C2)cccc1
NSC Number:
340346
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.109g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.822g/mol
Monoisotopic Mass:
355.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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