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

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

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

CAS No:
799783-04-3
Formula:
C18H18BrN3OS2
Chemical Name:
5-[(4-bromophenyl)methylsulfanyl]-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
Synonyms:
ZINC2213281;STK829921;AKOS001492043;MCULE-2999443862;2-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine;2-[(4-bromobenzyl)thio]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine;799783-04-3

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

Molecular Weight：

436.4 g/mol

Exact Mass：

435.00747 g/mol

Characteristics

PSA：

115 Å²

Computed Properties

Molecular Weight:436.4
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:435.00747
Monoisotopic Mass:435.00747
Topological Polar Surface Area:115
Heavy Atom Count:25
Complexity:475
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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