Chemical ID: 5984716

COc1cccc(c1)c2cc(n(n2)c3ccccc3)C(=O)N4CCN(CC4)c5ccc(cc5)[N+](=O)[O-]
Chemical ID:
5984716
Name [?]:
[5-(3-methoxyphenyl)-2-phenyl-pyrazol-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]-methanone
SMILES [?]:
COc1cccc(c1)c2cc(n(n2)c3ccccc3)C(=O)N4CCN(CC4)c5ccc(cc5)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H25N5O4
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:7.15986
Area:719.633
Solvation:-10.831
Coulombic:-48.4535
Bond Count [?]
All:40
Single:27
Double:13
Rotors:7
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:483.519
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:5.08
LogP (Chemaxon):4.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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