Chemical ID: 5987910

CCOC(=O)N1CCN(CC1)C(=O)c2cc(nn2c3cccc(c3)[N+](=O)[O-])c4cccc(c4)OC
Chemical ID:
5987910
Name [?]:
ethyl 4-[5-(3-methoxyphenyl)-2-(3-nitrophenyl)-pyrazol-3-yl]carbonylpiperazine-1-carboxylate
SMILES [?]:
CCOC(=O)N1CCN(CC1)C(=O)c2cc(nn2c3cccc(c3)[N+](=O)[O-])c4cccc(c4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H25N5O6
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:7.84941
Area:725.322
Solvation:-10.2836
Coulombic:-70.3576
Bond Count [?]
All:38
Single:27
Double:11
Rotors:9
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:479.485
H-Bond Donors:0
H-Bond Acceptors:9
XLogP:3.29
LogP (Chemaxon):2.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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