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Chemical ID: 7140159
Chemical ID:
7140159
Name [?]:
5-[(3,4-dimethoxyphenyl)methylene]-2-(o-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccccc1N=C2NC(=O)C(=Cc3ccc(c(c3)OC)OC)S2
InChi [?]:
InChI=1/C19H18N2O3S/c1-12-6-4-5-7-14(12)20-19-21-18(22)17(25-19)11-13-8-9-15(23-2)16(10-13)24-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,22,4,5,3,6,16,17,20,14,2,15,7,18,19,13,11,9,8,10,12,23,21,25/rA:25nCCCCCCCNCNCOCCCCCCCCOCOCS/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O3S |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.56734 |
Area: | 557.932 |
Solvation: | -5.38095 |
Coulombic: | -43.0653 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 354.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.88 |
LogP (Chemaxon): | 4.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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