10-(4-methylanilino)-12-(4-methylphenyl)sulfanyl-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
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10-(4-methylanilino)-12-(4-methylphenyl)sulfanyl-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
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CAS No:
332102-45-1
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Formula:
C28H20N2O2S
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Chemical Name:
10-(4-methylanilino)-12-(4-methylphenyl)sulfanyl-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
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Synonyms:
Oprea1_428526;5-p-Tolylamino-3-p-tolylsulfanyl-anthra[1,9-cd]isoxazol-6-one;ZINC2313989;STK840165;AKOS001588178;MCULE-5135968399;SR-01000390659;SR-01000390659-1;332102-45-1;5-[(4-methylphenyl)amino]-3-[(4-methylphenyl)sulfanyl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
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CAS No:
10-(4-methylanilino)-12-(4-methylphenyl)sulfanyl-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one Basic Attributes
448.5 g/mol
448.12454906 g/mol
Computed Properties
Molecular Weight:448.5
XLogP3:7.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:448.12454906
Monoisotopic Mass:448.12454906
Topological Polar Surface Area:80.4
Heavy Atom Count:33
Complexity:702
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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