Chemical ID: 4355162

c1cc(cc(c1)[N+](=O)[O-])C(=O)N2CCN(CC2)CCNC(=O)C(=O)Nc3ccc(cc3)F
Chemical ID:
4355162
Name [?]:
N'-(4-fluorophenyl)-N-[2-[4-(3-nitrobenzoyl)piperazin-1-yl]ethyl]oxamide
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C(=O)N2CCN(CC2)CCNC(=O)C(=O)Nc3ccc(cc3)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H22FN5O5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:7.17052
Area:682.435
Solvation:-9.89035
Coulombic:-82.7574
Bond Count [?]
All:34
Single:24
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:443.428
H-Bond Donors:2
H-Bond Acceptors:10
XLogP:1.39
LogP (Chemaxon):1.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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