Chemical ID: 6216852

COc1ccc(cc1OC)c2csc(n2)NC(=O)c3ccccc3[N+](=O)[O-]
Chemical ID:
6216852
Name [?]:
N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-2-nitro-benzamide
SMILES [?]:
COc1ccc(cc1OC)c2csc(n2)NC(=O)c3ccccc3[N+](=O)[O-]
InChi [?]:
InChI=1/C18H15N3O5S/c1-25-15-8-7-11(9-16(15)26-2)13-10-27-18(19-13)20-17(22)12-5-3-4-6-14(12)21(23)24/h3-10H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,10,21,22,20,23,5,4,7,12,6,19,11,24,3,8,17,14,15,16,25,18,26,27,2,9,13/E:(23,24)/CRV:21.5/rA:27nCOCCCCCCOCCCSCNNCOCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3O5S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:1.92005
Area:582.082
Solvation:-12.632
Coulombic:-49.7607
Bond Count [?]
All:29
Single:19
Double:10
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:385.395
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.16
LogP (Chemaxon):3.89

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