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Chemical ID: 7140069
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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