Chemical ID: 6595032

c1cc(cc(c1)NC(=O)COC(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCOCC3)C(F)(F)F
Chemical ID:
6595032
Name [?]:
[3-(trifluoromethyl)phenyl]carbamoylmethyl 4-morpholino-3-nitro-benzoate
SMILES [?]:
c1cc(cc(c1)NC(=O)COC(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCOCC3)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18F3N3O6
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:4.1373
Area:647.641
Solvation:-12.0537
Coulombic:-82.7829
Bond Count [?]
All:34
Single:25
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:453.369
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:3.2
LogP (Chemaxon):3.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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