Chemical ID: 4652744

c1ccc2c(c1)CCN2Cc3c(nnn3c4c(non4)N)C(=O)NN=Cc5ccc(cc5)F
Chemical ID:
4652744
Name [?]:
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(4-fluorophenyl)methyleneamino]-5-(indolin-1-ylmethyl)triazole-4-carboxamide
SMILES [?]:
c1ccc2c(c1)CCN2Cc3c(nnn3c4c(non4)N)C(=O)NN=Cc5ccc(cc5)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H18FN9O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.2159
Area:640.644
Solvation:-4.80018
Coulombic:-56.8818
Bond Count [?]
All:37
Single:25
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:447.425
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:4.31
LogP (Chemaxon):3.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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