Chemical ID: 5885046

CCCCCN(CC(=O)Nc1cc(nn1c2ccccc2C)C(C)(C)C)C(=O)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
5885046
Name [?]:
3-nitro-N-[[2-(o-tolyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]-N-pentyl-benzamide
SMILES [?]:
CCCCCN(CC(=O)Nc1cc(nn1c2ccccc2C)C(C)(C)C)C(=O)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H35N5O4
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:10.2704
Area:789.644
Solvation:-9.47066
Coulombic:-55.6674
Bond Count [?]
All:39
Single:28
Double:11
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:505.609
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.74
LogP (Chemaxon):6.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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