N-(4-bromophenyl)-2-[(12,12-dimethyl-5-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetamide
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N-(4-bromophenyl)-2-[(12,12-dimethyl-5-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetamide
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CAS No:
487036-14-6
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Formula:
C25H22BrN3O2S2
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Chemical Name:
N-(4-bromophenyl)-2-[(12,12-dimethyl-5-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetamide
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Synonyms:
ZINC2322459;STK547857;AKOS005476215;MCULE-7800524558;487036-14-6;N-(4-bromophenyl)-2-[(6,6-dimethyl-2-phenyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
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CAS No:
N-(4-bromophenyl)-2-[(12,12-dimethyl-5-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetamide Basic Attributes
540.5 g/mol
539.03368 g/mol
Computed Properties
Molecular Weight:540.5
XLogP3:6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:539.03368
Monoisotopic Mass:539.03368
Topological Polar Surface Area:118
Heavy Atom Count:33
Complexity:685
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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