Chemical ID: 4856570

COc1ccc(cc1)C2C=C(Nc3n2nc(n3)NC(=O)c4cccc(c4)[N+](=O)[O-])c5ccccc5
Chemical ID:
4856570
Name [?]:
N-[5-(4-methoxyphenyl)-3-phenyl-2,6,7,9-tetrazabicyclo[4.3.0]nona-3,7,9-trien-8-yl]-3-nitro-benzamide
SMILES [?]:
COc1ccc(cc1)C2C=C(Nc3n2nc(n3)NC(=O)c4cccc(c4)[N+](=O)[O-])c5ccccc5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H20N6O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:6.99321
Area:708.752
Solvation:-10.7256
Coulombic:-65.7749
Bond Count [?]
All:39
Single:25
Double:14
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:468.464
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:5.15
LogP (Chemaxon):4.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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