Chemical ID: 5495893

CC(C)N(C(C)C)C(=O)COC(=O)c1ccc(c(c1)[N+](=O)[O-])N2CCCCC2
Chemical ID:
5495893
Name [?]:
diisopropylcarbamoylmethyl 3-nitro-4-(1-piperidyl)benzoate
SMILES [?]:
CC(C)N(C(C)C)C(=O)COC(=O)c1ccc(c(c1)[N+](=O)[O-])N2CCCCC2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H29N3O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:5.7479
Area:618.812
Solvation:-9.72241
Coulombic:-52.4244
Bond Count [?]
All:29
Single:23
Double:6
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:391.461
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:3.88
LogP (Chemaxon):3.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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