Chemical ID: 6215786

Cc1c(nc(s1)NC(=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3
Chemical ID:
6215786
Name [?]:
N-(5-methyl-4-phenyl-thiazol-2-yl)-4-nitro-benzamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3
InChi [?]:
InChI=1/C17H13N3O3S/c1-11-15(12-5-3-2-4-6-12)18-17(24-11)19-16(21)13-7-9-14(10-8-13)20(22)23/h2-10H,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,20,24,11,15,12,14,2,19,10,13,3,8,5,4,7,16,9,17,18,6/E:(3,4)(5,6)(7,8)(9,10)(22,23)/CRV:20.5/rA:24nCCCNCSNCOCCCCCCN+OO-CCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;d16;s16;s3;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13N3O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:5.5582
Area:545.481
Solvation:-8.07883
Coulombic:-39.979
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:339.37
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.45
LogP (Chemaxon):4.4

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