8-[3-(dimethylamino)propylamino]-13-(4-methylphenyl)-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one
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![8-[3-(dimethylamino)propylamino]-13-(4-methylphenyl)-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/525211c0685644bbb5e5f922cbd70b67.png "8-[3-(dimethylamino)propylamino]-13-(4-methylphenyl)-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one")
8-[3-(dimethylamino)propylamino]-13-(4-methylphenyl)-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one
structure -
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CAS No:
496025-08-2
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Formula:
C25H25N5OS
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Chemical Name:
8-[3-(dimethylamino)propylamino]-13-(4-methylphenyl)-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one
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Synonyms:
MLS000517203;SMR000343327;5-{[3-(dimethylamino)propyl]amino}-9-(4-methylphenyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one;CHEMBL1305066;BDBM78825;cid_2132539;REGID_for_CID_2132539;HMS2694A21;ZINC2679415;STL227375;AKOS001054287;MCULE-8138405665;UNM-0000306095;496025-08-2;8-[3-(dimethylamino)propylamino]-13-(4-methylphenyl)-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one
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CAS No:
8-[3-(dimethylamino)propylamino]-13-(4-methylphenyl)-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one Basic Attributes
443.6 g/mol
443.17798161 g/mol
Computed Properties
Molecular Weight:443.6
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:443.17798161
Monoisotopic Mass:443.17798161
Topological Polar Surface Area:88.5
Heavy Atom Count:32
Complexity:759
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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