Chemical ID: 7140069

Cc1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2)C
Chemical ID:
7140069
Name [?]:
5-[(3,4-dihydroxyphenyl)methylene]-2-(2,5-dimethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2)C
InChi [?]:
InChI=1/C18H16N2O3S/c1-10-3-4-11(2)13(7-10)19-18-20-17(23)16(24-18)9-12-5-6-14(21)15(22)8-12/h3-9,21-22H,1-2H3,(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,24,3,4,16,17,7,20,14,2,5,15,6,18,19,13,11,9,8,10,22,21,12,23/rA:24nCCCCCCCNCNCOCCCCCCCCOOSC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;s9s13;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O3S
All Atoms:40
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.28303
Area:531.226
Solvation:-3.99762
Coulombic:-60.839
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:340.397
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.37
LogP (Chemaxon):4.72

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