Chemical ID: 4368907

Cc1ccc(cc1)c2c(sc(n2)NC(=O)c3cccc(c3)[N+](=O)[O-])C
Chemical ID:
4368907
Name [?]:
N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-3-nitro-benzamide
SMILES [?]:
Cc1ccc(cc1)c2c(sc(n2)NC(=O)c3cccc(c3)[N+](=O)[O-])C
InChi [?]:
InChI=1/C18H15N3O3S/c1-11-6-8-13(9-7-11)16-12(2)25-18(19-16)20-17(22)14-4-3-5-15(10-14)21(23)24/h3-10H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,25,18,17,19,3,7,4,6,21,2,9,5,16,20,8,14,11,12,13,22,15,23,24,10/E:(6,7)(8,9)(23,24)/CRV:21.5/rA:25nCCCCCCCCCSCNNCOCCCCCCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;d22;s22;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:5.98834
Area:564.853
Solvation:-8.13298
Coulombic:-39.3685
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:3.89
LogP (Chemaxon):4.86

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