8-(3-hydroxypropylamino)-13-phenyl-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-hydroxypropylamino)-13-phenyl-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/20220812/26f7253059834b698d1d0b3257b58bcd.png "8-(3-hydroxypropylamino)-13-phenyl-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-hydroxypropylamino)-13-phenyl-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:
374693-51-3
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Formula:
C22H18N4O2S
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Chemical Name:
8-(3-hydroxypropylamino)-13-phenyl-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:
ZINC1801671;AKOS001057444;MCULE-8833263665;8-[(3-hydroxypropyl)amino]-13-phenyl-15-thia-9,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(17),2(7),3,5,8,12(16),13-heptaen-11-one;EU-0046987;AF-399/40654061;Z31221035;5-((3-HO-PROPYL)AMINO)-9-PH-8H-THIENO(2',3':4,5)PYRIMIDO(2,1-A)PHTHALAZIN-8-ONE;5-[(3-hydroxypropyl)amino]-9-phenyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one;374693-51-3
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CAS No:
8-(3-hydroxypropylamino)-13-phenyl-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
402.5 g/mol
402.11504700 g/mol
Computed Properties
Molecular Weight:402.5
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:402.11504700
Monoisotopic Mass:402.11504700
Topological Polar Surface Area:106
Heavy Atom Count:29
Complexity:690
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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