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Chemical ID: 7140167
Chemical ID:
7140167
Name [?]:
5-[(3,4-dimethoxyphenyl)methylene]-2-(2,5-dimethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)OC)S2)C
InChi [?]:
InChI=1/C20H20N2O3S/c1-12-5-6-13(2)15(9-12)21-20-22-19(23)18(26-20)11-14-7-8-16(24-3)17(10-14)25-4/h5-11H,1-4H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,24,22,3,4,16,17,7,20,14,2,5,15,6,18,19,13,11,9,8,10,12,23,21,25/rA:26nCCCCCCCNCNCOCCCCCCCCOCOCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s9s13;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3S |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.94448 |
Area: | 573.206 |
Solvation: | -5.38567 |
Coulombic: | -42.858 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 368.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.32 |
LogP (Chemaxon): | 4.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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