Chemical ID: 5884904

Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)CN(CCC(C)C)C(=O)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
5884904
Name [?]:
N-isopentyl-N-[[2-(m-tolyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]-3-nitro-benzamide
SMILES [?]:
Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)CN(CCC(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:9.94045
Area:788.396
Solvation:-9.76946
Coulombic:-55.2323
Bond Count [?]
All:39
Single:28
Double:11
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:505.609
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.89
LogP (Chemaxon):6.16

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue