 Home > Encyclopedia > 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone

1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone

1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone structure

CAS No:
670269-88-2
Formula:
C25H25N3OS2
Chemical Name:
1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone
Synonyms:
670269-88-2;2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone;1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl}ethan-1-one;ZINC2888982;MFCD03762525;AKOS000811198;MCULE-4681010482;F1142-4458;1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone

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1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone Basic Attributes

Molecular Weight：

447.6 g/mol

Exact Mass：

447.14390478 g/mol

Characteristics

PSA：

101 Å²

Computed Properties

Molecular Weight:447.6
XLogP3:6.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:447.14390478
Monoisotopic Mass:447.14390478
Topological Polar Surface Area:101
Heavy Atom Count:31
Complexity:663
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone

Basic Attributes
Characteristics
Computed Properties

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