Chemical ID: 7141329

CCOc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3)OCC)S2
Chemical ID:
7141329
Name [?]:
2-(4-ethoxyphenyl)imino-5-[(4-ethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3)OCC)S2
InChi [?]:
InChI=1/C20H20N2O3S/c1-3-24-16-9-5-14(6-10-16)13-18-19(23)22-20(26-18)21-15-7-11-17(12-8-15)25-4-2/h5-13H,3-4H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,2,24,6,8,18,22,5,9,19,21,10,7,17,4,20,11,12,15,16,14,13,3,23,26/E:(5,6)(7,8)(9,10)(11,12)/rA:26nCCOCCCCCCCCCONCNCCCCCCOCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3S
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.5057
Area:594.375
Solvation:-4.35369
Coulombic:-43.5734
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:368.45
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.77
LogP (Chemaxon):4.53

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Descriptor Annotations

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