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Chemical ID: 4881988
Chemical ID:
4881988
Name [?]:
5-[(2,5-dimethoxyphenyl)methylene]-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N=C2NC(=O)C(=Cc3cc(ccc3OC)OC)S2
InChi [?]:
InChI=1/C19H18N2O3S/c1-12-4-6-14(7-5-12)20-19-21-18(22)17(25-19)11-13-10-15(23-2)8-9-16(13)24-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,22,3,7,4,6,18,19,16,14,2,15,5,17,20,13,11,9,8,10,12,23,21,25/E:(4,5)(6,7)/rA:25nCCCCCCCNCNCOCCCCCCCCOCOCS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s17;s23;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.50018 |
Area: | 560.023 |
Solvation: | -4.50039 |
Coulombic: | -42.926 |
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: | 3.36 |
LogP (Chemaxon): | 4.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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