Chemical ID: 4124498

C1CCCC(=NNC(=O)c2c(nnn2c3c(non3)N)CN4CCCCC4)CC1
Chemical ID:
4124498
Name [?]:
3-(4-amino-1,2,5-oxadiazol-3-yl)-N-cycloheptylideneamino-5-(1-piperidylmethyl)triazole-4-carboxamide
SMILES [?]:
C1CCCC(=NNC(=O)c2c(nnn2c3c(non3)N)CN4CCCCC4)CC1
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H27N9O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.4009
Area:616.852
Solvation:-4.02038
Coulombic:-49.3741
Bond Count [?]
All:32
Single:26
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:401.466
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.77
LogP (Chemaxon):1.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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