 Home > Encyclopedia > 5-benzylsulfanyl-4-(4-chlorophenyl)-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-benzylsulfanyl-4-(4-chlorophenyl)-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-benzylsulfanyl-4-(4-chlorophenyl)-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:
587003-02-9
Formula:
C24H21ClN2O2S2
Chemical Name:
5-benzylsulfanyl-4-(4-chlorophenyl)-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:
ZINC2398598;STK558696;AKOS005484500;MCULE-3131586182;2-(benzylsulfanyl)-3-(4-chlorophenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;587003-02-9

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5-benzylsulfanyl-4-(4-chlorophenyl)-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：

469.0 g/mol

Exact Mass：

468.0732980 g/mol

Characteristics

PSA：

95.4 Å²

Computed Properties

Molecular Weight:469.0
XLogP3:5.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:468.0732980
Monoisotopic Mass:468.0732980
Topological Polar Surface Area:95.4
Heavy Atom Count:31
Complexity:704
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-benzylsulfanyl-4-(4-chlorophenyl)-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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