Chemical ID: 6464653

CN1C(=O)C(=Cc2ccc(cc2OC)OC)SC1=Nc3cccc(c3)C(=O)O
Chemical ID:
6464653
Name [?]:
3-[5-[(2,4-dimethoxyphenyl)methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]aminobenzoic acid
SMILES [?]:
CN1C(=O)C(=Cc2ccc(cc2OC)OC)SC1=Nc3cccc(c3)C(=O)O
InChi [?]:
InChI=1/C20H18N2O5S/c1-22-18(23)17(10-12-7-8-15(26-2)11-16(12)27-3)28-20(22)21-14-6-4-5-13(9-14)19(24)25/h4-11H,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,16,14,22,23,21,8,9,25,6,11,7,24,20,10,12,5,3,26,18,19,2,4,27,28,15,13,17/E:(24,25)/rA:28nCNCOCCCCCCCCOCOCSCNCCCCCCCOO/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s5;s2s17;w18;s19;s20;d21;s22;d23;d20s24;s24;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O5S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.8074
Area:593.543
Solvation:-5.03117
Coulombic:-66.0674
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:398.433
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.68
LogP (Chemaxon):3.37

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Descriptor Annotations

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