 Home > Encyclopedia > 5-(4-butoxyphenyl)-3-[(3-fluorophenyl)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-(4-butoxyphenyl)-3-[(3-fluorophenyl)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-(4-butoxyphenyl)-3-[(3-fluorophenyl)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:
799810-45-0
Formula:
C28H29FN2O2S2
Chemical Name:
5-(4-butoxyphenyl)-3-[(3-fluorophenyl)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:
ZINC2231831;STK551498;AKOS005478909;MCULE-1691592164;2-(4-butoxyphenyl)-4-[(3-fluorobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine;799810-45-0

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5-(4-butoxyphenyl)-3-[(3-fluorophenyl)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：

508.7 g/mol

Exact Mass：

508.16544868 g/mol

Characteristics

PSA：

97.8 Å²

Computed Properties

Molecular Weight:508.7
XLogP3:7.2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:508.16544868
Monoisotopic Mass:508.16544868
Topological Polar Surface Area:97.8
Heavy Atom Count:35
Complexity:677
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(4-butoxyphenyl)-3-[(3-fluorophenyl)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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