Chemical ID: 4424925

COc1ccc(cc1)c2nc3n(n2)c(=O)c(=Cc4cn(nc4c5ccccc5)c6ccccc6)s3
Chemical ID:
4424925
Name [?]:
3-[(1,3-diphenylpyrazol-4-yl)methylene]-7-(4-methoxyphenyl)-2-thia-5,6,8-triazabicyclo[3.3.0]octa-6,8-dien-4-one
SMILES [?]:
COc1ccc(cc1)c2nc3n(n2)c(=O)c(=Cc4cn(nc4c5ccccc5)c6ccccc6)s3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H19N5O2S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:13.1747
Area:713.369
Solvation:-4.65947
Coulombic:-38.3033
Bond Count [?]
All:40
Single:25
Double:15
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:477.538
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.69
LogP (Chemaxon):6.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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