Chemical ID: 4357807

Cc1ccc(cc1)c2nc3n(n2)c(=O)c(=Cc4cn(nc4c5ccc(cc5)OC)c6ccccc6)s3
Chemical ID:
4357807
Name [?]:
3-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-7-(p-tolyl)-2-thia-5,6,8-triazabicyclo[3.3.0]octa-6,8-dien-4-one
SMILES [?]:
Cc1ccc(cc1)c2nc3n(n2)c(=O)c(=Cc4cn(nc4c5ccc(cc5)OC)c6ccccc6)s3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H21N5O2S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:13.9306
Area:739.215
Solvation:-4.54979
Coulombic:-38.2111
Bond Count [?]
All:41
Single:26
Double:15
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:491.565
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.12
LogP (Chemaxon):6.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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