Chemical ID: 4821513

CC(C)(C)c1ccc(cc1)C=NNC(=O)c2c(n(nn2)c3c(non3)N)CN4CCc5c4cccc5
Chemical ID:
4821513
Name [?]:
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(indolin-1-ylmethyl)-N-[(4-tert-butylphenyl)methyleneamino]triazole-4-carboxamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C=NNC(=O)c2c(n(nn2)c3c(non3)N)CN4CCc5c4cccc5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H27N9O2
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:13.841
Area:710.936
Solvation:-3.93244
Coulombic:-54.5458
Bond Count [?]
All:40
Single:28
Double:12
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:485.541
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:5.96
LogP (Chemaxon):4.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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