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Chemical ID: 6464696
Chemical ID:
6464696
Name [?]:
2-(2,5-dimethylphenyl)imino-5-[(2-hydroxyphenyl)methylene]-3-methyl-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N=C2N(C(=O)C(=Cc3ccccc3O)S2)C)C
InChi [?]:
InChI=1/C19H18N2O2S/c1-12-8-9-13(2)15(10-12)20-19-21(3)18(23)17(24-19)11-14-6-4-5-7-16(14)22/h4-11,22H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,23,17,18,16,19,3,4,7,14,2,5,15,6,20,13,11,9,8,10,21,12,22/rA:24nCCCCCCCNCNCOCCCCCCCCOSCC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s9s13;s10;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6617 |
Area: | 522.896 |
Solvation: | -2.41075 |
Coulombic: | -42.0922 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 338.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.49 |
LogP (Chemaxon): | 5.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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