 Home > Encyclopedia > 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-12,12-dimethyl-4-phenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-12,12-dimethyl-4-phenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-12,12-dimethyl-4-phenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one structure

CAS No:
500105-50-0
Formula:
C25H21ClN2O2S3
Chemical Name:
5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-12,12-dimethyl-4-phenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
C25H21ClN2O2S3;ZINC1790170;STL240894;AKOS025279379;MCULE-3952395147;2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;500105-50-0

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5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-12,12-dimethyl-4-phenyl-8,11-dithia-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：

512.0453691 g/mol

Characteristics

PSA：

129 Å²

Computed Properties

Molecular Weight:513.1
XLogP3:6.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:512.0453691
Monoisotopic Mass:512.0453691
Topological Polar Surface Area:129
Heavy Atom Count:33
Complexity:793
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-12,12-dimethyl-4-phenyl-8,11-dithia-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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