Chemical ID: 4366887

CCCc1c(nc(s1)NC(=O)c2ccc(cc2)[N+](=O)[O-])c3ccc(cc3)C
Chemical ID:
4366887
Name [?]:
4-nitro-N-[5-propyl-4-(p-tolyl)thiazol-2-yl]-benzamide
SMILES [?]:
CCCc1c(nc(s1)NC(=O)c2ccc(cc2)[N+](=O)[O-])c3ccc(cc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H19N3O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:6.90939
Area:613.433
Solvation:-8.42645
Coulombic:-39.8437
Bond Count [?]
All:29
Single:19
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.449
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.71
LogP (Chemaxon):5.73

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