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

2-[[5-(4-butoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl]sulfanyl]-1-phenylethanone

2-[[5-(4-butoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl]sulfanyl]-1-phenylethanone structure

CAS No:
799795-94-1
Formula:
C29H30N2O3S2
Chemical Name:
2-[[5-(4-butoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl]sulfanyl]-1-phenylethanone
Synonyms:
ZINC2221014;STK551342;AKOS005478972;MCULE-1398405391;2-{[2-(4-butoxyphenyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-phenylethanone;799795-94-1

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2-[[5-(4-butoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl]sulfanyl]-1-phenylethanone Basic Attributes

Molecular Weight：

518.7 g/mol

Exact Mass：

518.16978517 g/mol

Characteristics

PSA：

115 Å²

Computed Properties

Molecular Weight:518.7
XLogP3:7
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:518.16978517
Monoisotopic Mass:518.16978517
Topological Polar Surface Area:115
Heavy Atom Count:36
Complexity:723
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[5-(4-butoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl]sulfanyl]-1-phenylethanone

Basic Attributes
Characteristics
Computed Properties

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