Chemical ID: 4145945

CCOc1cc(ccc1O)C=C2C(=O)N(C(=S)S2)c3ccccc3OC
Chemical ID:
4145945
Name [?]:
5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-3-(2-methoxyphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCOc1cc(ccc1O)C=C2C(=O)N(C(=S)S2)c3ccccc3OC
InChi [?]:
InChI=1/C19H17NO4S2/c1-3-24-16-10-12(8-9-14(16)21)11-17-18(22)20(19(25)26-17)13-6-4-5-7-15(13)23-2/h4-11,21H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,21,22,20,23,7,8,5,11,6,19,9,24,4,12,13,16,15,10,14,25,3,17,18/rA:26nCCOCCCCCCOCCCONCSSCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;d13;s13;s15;d16;s12s16;s15;s19;d20;s21;d22;d19s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO4S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.1344
Area:580.785
Solvation:-5.38523
Coulombic:-49.925
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:387.475
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.24
LogP (Chemaxon):4.04

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