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

5-[(2-chlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

5-[(2-chlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one structure

CAS No:
585558-11-8
Formula:
C26H25ClN2O3S2
Chemical Name:
5-[(2-chlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
ZINC2393394;STK720606;AKOS005529624;MCULE-2013560322;2-[(2-chlorobenzyl)sulfanyl]-3-(4-ethoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;585558-11-8

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5-[(2-chlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one Basic Attributes

Molecular Weight：

513.1 g/mol

Exact Mass：

512.0995127 g/mol

Characteristics

PSA：

105 Å²

Computed Properties

Molecular Weight:513.1
XLogP3:6.2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:512.0995127
Monoisotopic Mass:512.0995127
Topological Polar Surface Area:105
Heavy Atom Count:34
Complexity:773
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[(2-chlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

Basic Attributes
Characteristics
Computed Properties

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