Chemical ID: 5637409

COc1ccccc1c2csc(n2)NC(=O)c3ccccc3[N+](=O)[O-]
Chemical ID:
5637409
Name [?]:
N-[4-(2-methoxyphenyl)thiazol-2-yl]-2-nitro-benzamide
SMILES [?]:
COc1ccccc1c2csc(n2)NC(=O)c3ccccc3[N+](=O)[O-]
InChi [?]:
InChI=1/C17H13N3O4S/c1-24-15-9-5-3-6-11(15)13-10-25-17(18-13)19-16(21)12-7-2-4-8-14(12)20(22)23/h2-10H,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,19,6,20,5,7,18,21,4,10,8,17,9,22,3,15,12,13,14,23,16,24,25,2,11/E:(22,23)/CRV:20.5/rA:25nCOCCCCCCCCSCNNCOCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13N3O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:2.37267
Area:536.849
Solvation:-11.0486
Coulombic:-42.8848
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:355.369
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.51
LogP (Chemaxon):4.15

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