 Home > Encyclopedia > 5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(3,4-dimethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(3,4-dimethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(3,4-dimethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione structure

CAS No:
333394-20-0
Formula:
C25H22BrN3O2S
Chemical Name:
5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(3,4-dimethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Synonyms:
ZINC8397879;AG-690/11154416;5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(3,4-dimethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(3,4-dimethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione Basic Attributes

Molecular Weight：

508.43008

Exact Mass：

507.062

Characteristics

PSA：

86.4

XLogP3：

5.9

Computed Properties

Molecular Weight:508.4
XLogP3:5.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:507.06161
Monoisotopic Mass:507.06161
Topological Polar Surface Area:86.4
Heavy Atom Count:32
Complexity:794
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(3,4-dimethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

Basic Attributes
Characteristics
Computed Properties

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