Chemical ID: 4858398

Cc1ccc(cc1)NC2=NC(=O)C(=Cc3cc(ccc3OC)OC)S2
Chemical ID:
4858398
Name [?]:
5-[(2,5-dimethoxyphenyl)methylene]-2-(p-tolylamino)thiazol-4-one
SMILES [?]:
Cc1ccc(cc1)NC2=NC(=O)C(=Cc3cc(ccc3OC)OC)S2
InChi [?]:
InChI=1/C19H18N2O3S/c1-12-4-6-14(7-5-12)20-19-21-18(22)17(25-19)11-13-10-15(23-2)8-9-16(13)24-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,22,3,7,4,6,18,19,16,14,2,15,5,17,20,13,11,9,8,10,12,23,21,25/E:(4,5)(6,7)/rA:25nCCCCCCCNCNCOCCCCCCCCOCOCS/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s17;s23;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.33454
Area:556.452
Solvation:-4.57676
Coulombic:-43.3435
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:354.424
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.62
LogP (Chemaxon):4.17

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