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

5-(4-butoxyphenyl)-12,12-dimethyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

5-(4-butoxyphenyl)-12,12-dimethyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene structure

CAS No:
799799-64-7
Formula:
C30H32N2O2S2
Chemical Name:
5-(4-butoxyphenyl)-12,12-dimethyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Synonyms:
C30H32N2O2S2;ZINC2222396;STK549497;AKOS005477629;2-(4-butoxyphenyl)-6,6-dimethyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine;799799-64-7

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5-(4-butoxyphenyl)-12,12-dimethyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene Basic Attributes

Molecular Weight：

516.7 g/mol

Exact Mass：

516.19052061 g/mol

Characteristics

PSA：

97.8 Å²

Computed Properties

Molecular Weight:516.7
XLogP3:7.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:516.19052061
Monoisotopic Mass:516.19052061
Topological Polar Surface Area:97.8
Heavy Atom Count:36
Complexity:705
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(4-butoxyphenyl)-12,12-dimethyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-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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