Chemical ID: 4861538

Cc1ccc(cc1C)NC2=NC(=O)C(=Cc3ccc(cc3)OCC=C)S2
Chemical ID:
4861538
Name [?]:
5-[(4-allyloxyphenyl)methylene]-2-(3,4-dimethylphenyl)amino-thiazol-4-one
SMILES [?]:
Cc1ccc(cc1C)NC2=NC(=O)C(=Cc3ccc(cc3)OCC=C)S2
InChi [?]:
InChI=1/C21H20N2O2S/c1-4-11-25-18-9-6-16(7-10-18)13-19-20(24)23-21(26-19)22-17-8-5-14(2)15(3)12-17/h4-10,12-13H,1,11H2,2-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:25,1,8,24,3,17,21,4,18,20,23,6,15,2,7,16,5,19,14,12,10,9,11,13,22,26/E:(6,7)(9,10)/rA:26nCCCCCCCCNCNCOCCCCCCCCOCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;d24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.5634
Area:595.607
Solvation:-3.32678
Coulombic:-38.7666
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:364.462
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.76
LogP (Chemaxon):5.63

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