Chemical ID: 5818094

CN1C(=O)C(=Cc2ccc(c(c2)O)OC)SC1=Nc3ccc(cc3)C(=O)O
Chemical ID:
5818094
Name [?]:
4-[5-[(3-hydroxy-4-methoxy-phenyl)methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]aminobenzoic acid
SMILES [?]:
CN1C(=O)C(=Cc2ccc(c(c2)O)OC)SC1=Nc3ccc(cc3)C(=O)O
InChi [?]:
InChI=1/C19H16N2O5S/c1-21-17(23)16(10-11-3-8-15(26-2)14(22)9-11)27-19(21)20-13-6-4-12(5-7-13)18(24)25/h3-10,22H,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,15,8,21,23,20,24,9,12,6,7,22,19,11,10,5,3,25,17,18,2,13,4,26,27,14,16/E:(4,5)(6,7)(24,25)/rA:27nCNCOCCCCCCCCOOCSCNCCCCCCCOO/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s11;s10;s14;s5;s2s16;w17;s18;s19;d20;s21;d22;d19s23;s22;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O5S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.00737
Area:574.16
Solvation:-5.34662
Coulombic:-74.7989
Bond Count [?]
All:29
Single:19
Double:10
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:384.407
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.36
LogP (Chemaxon):3.42

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Descriptor Annotations

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