Chemical ID: 4888420

COc1ccc(cc1)c2c(cn(n2)c3ccccc3)C=c4c(=O)n5c(s4)nc(n5)c6ccccc6OC
Chemical ID:
4888420
Name [?]:
3-(2-methoxyphenyl)-7-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-6-thia-1,2,4-triazabicyclo[3.3.0]octa-2,4-dien-8-one
SMILES [?]:
COc1ccc(cc1)c2c(cn(n2)c3ccccc3)C=c4c(=O)n5c(s4)nc(n5)c6ccccc6OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H21N5O3S
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:12.3515
Area:745.194
Solvation:-6.27835
Coulombic:-44.2082
Bond Count [?]
All:42
Single:27
Double:15
Rotors:6
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:507.564
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.6
LogP (Chemaxon):5.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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