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Chemical ID: 5638412
Chemical ID:
5638412
Name [?]:
5-[(2,4-diethoxyphenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
CCOc1ccc(c(c1)OCC)C=C2C(=O)NC(=Nc3ccccc3)S2
InChi [?]:
InChI=1/C20H20N2O3S/c1-3-24-16-11-10-14(17(13-16)25-4-2)12-18-19(23)22-20(26-18)21-15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,12,2,11,23,22,24,21,25,6,5,13,9,7,20,4,8,14,15,18,19,17,16,3,10,26/E:(6,7)(8,9)/rA:26nCCOCCCCCCOCCCCCONCNCCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s7;w13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0 |
Area: | 593.195 |
Solvation: | -3.82992 |
Coulombic: | -44.3332 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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