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

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

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

CAS No:
573693-91-1
Formula:
C21H23BrN2OS3
Chemical Name:
3-[(4-bromophenyl)methylsulfanyl]-12,12-dimethyl-5-propylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Synonyms:
C21H23BrN2OS3;ZINC2359404;STK556364;AKOS005482405;MCULE-7054807881;4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine;573693-91-1

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

Molecular Weight：

495.5 g/mol

Exact Mass：

494.01559 g/mol

Characteristics

PSA：

114 Å²

Computed Properties

Molecular Weight:495.5
XLogP3:6.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:494.01559
Monoisotopic Mass:494.01559
Topological Polar Surface Area:114
Heavy Atom Count:28
Complexity:518
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[(4-bromophenyl)methylsulfanyl]-12,12-dimethyl-5-propylsulfanyl-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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