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87540-11-2 | 3-(3-METHOXY-4-(PENTYLOXY)PHENYL)-6-(PYRROLIDIN-1-YL)-1,2,4-TRIAZOLO[3,4-A]PHTHALAZINE
CAS No: 87540-11-2 Catalog No: AG004H2I MDL No:
Product Description
Catalog Number:
AG004H2I
Chemical Name:
3-(3-METHOXY-4-(PENTYLOXY)PHENYL)-6-(PYRROLIDIN-1-YL)-1,2,4-TRIAZOLO[3,4-A]PHTHALAZINE
CAS Number:
87540-11-2
Molecular Formula:
C25H29N5O2
Molecular Weight:
431.5301
IUPAC Name:
3-(3-methoxy-4-pentoxyphenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
InChI:
InChI=1S/C25H29N5O2/c1-3-4-9-16-32-21-13-12-18(17-22(21)31-2)23-26-27-24-19-10-5-6-11-20(19)25(28-30(23)24)29-14-7-8-15-29/h5-6,10-13,17H,3-4,7-9,14-16H2,1-2H3
InChI Key:
GITYMWPYBZHMPA-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1OC)c1nnc2n1nc(N1CCCC1)c1c2cccc1
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.232g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.54g/mol
Monoisotopic Mass:
431.232g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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