Chemical ID: 5823919

CCC1=NN2C(=N)C(=Cc3c(nn(c3Cl)c4ccccc4)C)C(=O)N=C2S1
Chemical ID:
5823919
Name [?]:
3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylene]-8-ethyl-2-imino-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
SMILES [?]:
CCC1=NN2C(=N)C(=Cc3c(nn(c3Cl)c4ccccc4)C)C(=O)N=C2S1
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H15ClN6OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.5221
Area:570.793
Solvation:-2.74775
Coulombic:-40.2254
Bond Count [?]
All:30
Single:20
Double:10
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:398.87
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.39
LogP (Chemaxon):3.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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