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

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

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

CAS No:
672271-39-5
Formula:
C21H24N2O2S2
Chemical Name:
5-(4-butoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-triene-3-thione
Synonyms:
ZINC1803817;STL037490;AKOS005691030;AKOS030520322;MCULE-6482233641;2-(4-butoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-4-thione;672271-39-5

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

Molecular Weight：

400.6 g/mol

Exact Mass：

400.12792036 g/mol

Characteristics

PSA：

103 Å²

Computed Properties

Molecular Weight:400.6
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:400.12792036
Monoisotopic Mass:400.12792036
Topological Polar Surface Area:103
Heavy Atom Count:27
Complexity:587
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: norephedrine; hclo2; dinitrogen tetroxide formula; methanal; calcium iodide; hydroxylamine

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

Basic Attributes
Characteristics
Computed Properties

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