Chemical ID: 6219675

Cc1ccc(cc1C)C(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
6219675
Name [?]:
3,4-dimethyl-N-[4-(3-nitrophenyl)thiazol-2-yl]-benzamide
SMILES [?]:
Cc1ccc(cc1C)C(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H15N3O3S/c1-11-6-7-14(8-12(11)2)17(22)20-18-19-16(10-25-18)13-4-3-5-15(9-13)21(23)24/h3-10H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,8,19,18,20,3,4,6,22,15,2,7,17,5,21,14,9,12,13,11,23,10,24,25,16/E:(23,24)/CRV:21.5/rA:25nCCCCCCCCCONCNCCSCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s21;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.32859
Area:566.603
Solvation:-7.83649
Coulombic:-39.9999
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:353.396
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.47
LogP (Chemaxon):5.33

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