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

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

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

CAS No:
579446-27-8
Formula:
C25H23BrN2OS3
Chemical Name:
5-benzylsulfanyl-3-[(4-bromophenyl)methylsulfanyl]-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Synonyms:
C25H23BrN2OS3;ZINC2399464;STK720805;AKOS005529455;MCULE-3427655253;2-(benzylsulfanyl)-4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine;579446-27-8

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

Molecular Weight：

543.6 g/mol

Exact Mass：

542.01559 g/mol

Characteristics

PSA：

114 Å²

Computed Properties

Molecular Weight:543.6
XLogP3:7.3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:542.01559
Monoisotopic Mass:542.01559
Topological Polar Surface Area:114
Heavy Atom Count:32
Complexity:612
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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