Chemical ID: 5567518

CC(C)(C)OC(=O)Cc1c(nnn1c2ccc(cc2)[N+](=O)[O-])C(=O)OC(C)(C)C
Chemical ID:
5567518
Name [?]:
tert-butyl 1-(4-nitrophenyl)-5-(tert-butoxycarbonylmethyl)triazole-4-carboxylate
SMILES [?]:
CC(C)(C)OC(=O)Cc1c(nnn1c2ccc(cc2)[N+](=O)[O-])C(=O)OC(C)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H24N4O6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:6.73264
Area:610.173
Solvation:-8.52168
Coulombic:-53.3764
Bond Count [?]
All:30
Single:22
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:404.417
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.54
LogP (Chemaxon):2.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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