Chemical ID: 5885279

CCCCCN(CC(=O)Nc1cc(nn1c2ccccc2Cl)C(C)(C)C)C(=O)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
5885279
Name [?]:
N-[[2-(2-chlorophenyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]-4-nitro-N-pentyl-benzamide
SMILES [?]:
CCCCCN(CC(=O)Nc1cc(nn1c2ccccc2Cl)C(C)(C)C)C(=O)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H32ClN5O4
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:10.2205
Area:794.521
Solvation:-9.64252
Coulombic:-56.1957
Bond Count [?]
All:39
Single:28
Double:11
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:526.027
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:6.14
LogP (Chemaxon):6.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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