Chemical ID: 6213728

CCOc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(c(c3)OC)OC)S2
Chemical ID:
6213728
Name [?]:
5-[(3,4-dimethoxyphenyl)methylene]-2-(4-ethoxyphenyl)amino-thiazol-4-one
SMILES [?]:
CCOc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(c(c3)OC)OC)S2
InChi [?]:
InChI=1/C20H20N2O4S/c1-4-26-15-8-6-14(7-9-15)21-20-22-19(23)18(27-20)12-13-5-10-16(24-2)17(11-13)25-3/h5-12H,4H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,24,2,18,6,8,5,9,19,22,16,17,7,4,20,21,15,13,11,10,12,14,25,23,3,27/E:(6,7)(8,9)/rA:27nCCOCCCCCCNCNCOCCCCCCCCOCOCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.49615
Area:603.197
Solvation:-6.58378
Coulombic:-49.9577
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:384.45
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.25
LogP (Chemaxon):3.79

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