Chemical ID: 7140220

CCOc1ccc(cc1OC)C=C2C(=O)NC(=Nc3ccccc3C)S2
Chemical ID:
7140220
Name [?]:
5-[(4-ethoxy-3-methoxy-phenyl)methylene]-2-(o-tolylimino)thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1OC)C=C2C(=O)NC(=Nc3ccccc3C)S2
InChi [?]:
InChI=1/C20H20N2O3S/c1-4-25-16-10-9-14(11-17(16)24-3)12-18-19(23)22-20(26-18)21-15-8-6-5-7-13(15)2/h5-12H,4H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,11,2,22,21,23,20,6,5,8,12,24,7,19,4,9,13,14,17,18,16,15,10,3,26/rA:26nCCOCCCCCCOCCCCONCNCCCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s24;s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3S
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.42841
Area:587.049
Solvation:-5.24782
Coulombic:-43.3739
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:368.45
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.3
LogP (Chemaxon):4.66

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