Chemical ID: 7143505

COc1ccc(cc1OC)C=C2C(=O)N(C(=S)S2)c3ccc(c(c3)O)C(=O)O
Chemical ID:
7143505
Name [?]:
4-[5-[(3,4-dimethoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-2-hydroxy-benzoic acid
SMILES [?]:
COc1ccc(cc1OC)C=C2C(=O)N(C(=S)S2)c3ccc(c(c3)O)C(=O)O
InChi [?]:
InChI=1/C19H15NO6S2/c1-25-14-6-3-10(7-15(14)26-2)8-16-17(22)20(19(27)28-16)11-4-5-12(18(23)24)13(21)9-11/h3-9,21H,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,10,5,20,21,4,7,11,24,6,19,22,23,3,8,12,13,26,16,15,25,14,27,28,2,9,17,18/E:(23,24)/rA:28nCOCCCCCCOCCCCONCSSCCCCCCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;d13;s13;s15;d16;s12s16;s15;s19;d20;s21;d22;d19s23;s23;s22;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15NO6S2
All Atoms:43
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.05749
Area:608.906
Solvation:-7.16517
Coulombic:-74.5907
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:417.458
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.36
LogP (Chemaxon):3.86

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