Chemical ID: 5548689

COC(=O)c1ccc(cc1)N=C2NC(=O)C(=Cc3ccccc3O)S2
Chemical ID:
5548689
Name [?]:
methyl 4-[5-[(2-hydroxyphenyl)methylene]-4-oxo-thiazolidin-2-ylidene]aminobenzoate
SMILES [?]:
COC(=O)c1ccc(cc1)N=C2NC(=O)C(=Cc3ccccc3O)S2
InChi [?]:
InChI=1/C18H14N2O4S/c1-24-17(23)11-6-8-13(9-7-11)19-18-20-16(22)15(25-18)10-12-4-2-3-5-14(12)21/h2-10,21H,1H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,22,6,10,7,9,17,5,18,8,23,16,14,3,12,11,13,24,15,4,2,25/E:(6,7)(8,9)/rA:25nCOCOCCCCCCNCNCOCCCCCCCCOS/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N2O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.4316
Area:558.752
Solvation:-3.53716
Coulombic:-64.789
Bond Count [?]
All:27
Single:17
Double:10
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:354.381
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.62
LogP (Chemaxon):3.61

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Descriptor Annotations

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