Chemical ID: 5638412

CCOc1ccc(c(c1)OCC)C=C2C(=O)NC(=Nc3ccccc3)S2
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

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Descriptor Annotations

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