Chemical ID: 4789096

Cc1cc(c(c(c1)C)C=NNC(=O)c2c(n(nn2)c3c(non3)N)CN(C)C4CCCCC4)C
Chemical ID:
4789096
Name [?]:
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(cyclohexyl-methyl-amino)methyl]-N-[(2,4,6-trimethylphenyl)methyleneamino]triazole-4-carboxamide
SMILES [?]:
Cc1cc(c(c(c1)C)C=NNC(=O)c2c(n(nn2)c3c(non3)N)CN(C)C4CCCCC4)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H31N9O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.7978
Area:682.782
Solvation:-3.27175
Coulombic:-52.3493
Bond Count [?]
All:37
Single:28
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:465.552
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:5.27
LogP (Chemaxon):4.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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