Chemical ID: 7284955

CCOc1ccc(cc1OC)c2nc(cs2)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
7284955
Name [?]:
2-(4-ethoxy-3-methoxy-phenyl)-4-(3-nitrophenyl)-thiazole
SMILES [?]:
CCOc1ccc(cc1OC)c2nc(cs2)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H16N2O4S/c1-3-24-16-8-7-13(10-17(16)23-2)18-19-15(11-25-18)12-5-4-6-14(9-12)20(21)22/h4-11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,19,18,20,6,5,22,8,15,17,7,21,14,4,9,12,13,23,24,25,10,3,16/E:(21,22)/CRV:20.5/rA:25nCCOCCCCCCOCCNCCSCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s21;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O4S
All Atoms:41
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.25472
Area:573.627
Solvation:-10.0859
Coulombic:-32.6291
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:356.397
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.15
LogP (Chemaxon):4.56

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Descriptor Annotations

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