 Home > Encyclopedia > 5-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

5-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

5-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one structure

CAS No:
577985-50-3
Formula:
C24H20BrClN2O2S2
Chemical Name:
5-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
C24H20BrClN2O2S2;ZINC2348936;STK720625;AKOS005529576;MCULE-9986605575;2-[(4-bromobenzyl)sulfanyl]-3-(4-chlorophenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;577985-50-3

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5-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one Basic Attributes

Molecular Weight：

547.9 g/mol

Exact Mass：

545.98381 g/mol

Characteristics

PSA：

95.4 Å²

Computed Properties

Molecular Weight:547.9
XLogP3:6.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:545.98381
Monoisotopic Mass:545.98381
Topological Polar Surface Area:95.4
Heavy Atom Count:32
Complexity:738
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

Basic Attributes
Characteristics
Computed Properties

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