Chemical ID: 5560613

CCOc1ccc(cc1)N=C2NC(=O)C(=Cc3cc(c(c(c3)Cl)O)OC)S2
Chemical ID:
5560613
Name [?]:
5-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methylene]-2-(4-ethoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1)N=C2NC(=O)C(=Cc3cc(c(c(c3)Cl)O)OC)S2
InChi [?]:
InChI=1/C19H17ClN2O4S/c1-3-26-13-6-4-12(5-7-13)21-19-22-18(24)16(27-19)10-11-8-14(20)17(23)15(9-11)25-2/h4-10,23H,3H2,1-2H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,26,2,6,8,5,9,22,18,16,17,7,4,21,19,15,20,13,11,23,10,12,24,14,25,3,27/E:(4,5)(6,7)/rA:27nCCOCCCCCCNCNCOCCCCCCCCClOOCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s21;s20;s19;s25;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.55978
Area:612.231
Solvation:-5.74598
Coulombic:-58.7515
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:404.868
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.56
LogP (Chemaxon):4.42

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Descriptor Annotations

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