Chemical ID: 6468814

Cc1cc(ccc1OC)C=C2C(=O)N(C(=Nc3ccc(cc3)OC)S2)C
Chemical ID:
6468814
Name [?]:
5-[(4-methoxy-3-methyl-phenyl)methylene]-2-(4-methoxyphenyl)imino-3-methyl-thiazolidin-4-one
SMILES [?]:
Cc1cc(ccc1OC)C=C2C(=O)N(C(=Nc3ccc(cc3)OC)S2)C
InChi [?]:
InChI=1/C20H20N2O3S/c1-13-11-14(5-10-17(13)25-4)12-18-19(23)22(2)20(26-18)21-15-6-8-16(24-3)9-7-15/h5-12H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,24,9,5,18,22,19,21,6,3,10,2,4,17,20,7,11,12,15,16,14,13,23,8,25/E:(6,7)(8,9)/rA:26nCCCCCCCOCCCCONCNCCCCCCOCSC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;s11s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.65158
Area:564.828
Solvation:-4.46913
Coulombic:-38.9416
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:368.45
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.29
LogP (Chemaxon):4.56

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Descriptor Annotations

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