Chemical ID: 6610490

CC1CC(CN(C1)C(=O)COC(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCCCC3)C
Chemical ID:
6610490
Name [?]:
(3,5-dimethyl-1-piperidyl)carbonylmethyl 3-nitro-4-(1-piperidyl)benzoate
SMILES [?]:
CC1CC(CN(C1)C(=O)COC(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCCCC3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H29N3O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:5.9186
Area:635.853
Solvation:-9.97773
Coulombic:-52.719
Bond Count [?]
All:31
Single:25
Double:6
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:403.472
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:3.57
LogP (Chemaxon):3.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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