Chemical ID: 5269045

CCOc1ccc(cc1OC)C=C2C(=O)N=C(S2)Nc3ccc(cc3)C
Chemical ID:
5269045
Name [?]:
5-[(4-ethoxy-3-methoxy-phenyl)methylene]-2-(p-tolylamino)thiazol-4-one
SMILES [?]:
CCOc1ccc(cc1OC)C=C2C(=O)N=C(S2)Nc3ccc(cc3)C
InChi [?]:
InChI=1/C20H20N2O3S/c1-4-25-16-10-7-14(11-17(16)24-3)12-18-19(23)22-20(26-18)21-15-8-5-13(2)6-9-15/h5-12H,4H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,11,2,22,24,6,21,25,5,8,12,23,7,20,4,9,13,14,17,19,16,15,10,3,18/E:(5,6)(8,9)/rA:26nCCOCCCCCCOCCCCONCSNCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s14;d16;s13s17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.46269
Area:590.147
Solvation:-5.291
Coulombic:-43.5526
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:368.45
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.78
LogP (Chemaxon):4.51

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