 Home > Encyclopedia > 1-(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]ethanone

1-(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]ethanone

1-(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]ethanone structure

CAS No:
499211-27-7
Formula:
C25H21BrN2O2S2
Chemical Name:
1-(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]ethanone
Synonyms:
ZINC2357013;STK547607;AKOS005475586;MCULE-9736341670;1-(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]ethanone;499211-27-7

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1-(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]ethanone Basic Attributes

Molecular Weight：

525.5 g/mol

Exact Mass：

524.02278 g/mol

Characteristics

PSA：

106 Å²

Computed Properties

Molecular Weight:525.5
XLogP3:6.5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:524.02278
Monoisotopic Mass:524.02278
Topological Polar Surface Area:106
Heavy Atom Count:32
Complexity:666
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(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]ethanone

Basic Attributes
Characteristics
Computed Properties

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