Chemical ID: 4877413

COc1ccccc1c2nc3n(n2)c(=O)c(=Cc4cn(nc4c5cccs5)c6ccccc6)s3
Chemical ID:
4877413
Name [?]:
7-(2-methoxyphenyl)-3-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]-2-thia-5,6,8-triazabicyclo[3.3.0]octa-6,8-dien-4-one
SMILES [?]:
COc1ccccc1c2nc3n(n2)c(=O)c(=Cc4cn(nc4c5cccs5)c6ccccc6)s3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H17N5O2S2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.671
Area:700.113
Solvation:-4.83183
Coulombic:-37.6803
Bond Count [?]
All:39
Single:25
Double:14
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:483.567
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.71
LogP (Chemaxon):5.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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