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Chemical ID: 7140148
Chemical ID:
7140148
Name [?]:
5-[(2,5-dimethoxyphenyl)methylene]-2-(2-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)C=C2C(=O)NC(=Nc3ccccc3OC)S2)OC
InChi [?]:
InChI=1/C19H18N2O4S/c1-23-13-8-9-15(24-2)12(10-13)11-17-18(22)21-19(26-17)20-14-6-4-5-7-16(14)25-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,26,23,18,19,17,20,4,5,8,9,7,3,16,6,21,10,11,14,15,13,12,2,25,22,24/rA:26nCOCCCCCCCCCONCNCCCCCCOCSOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s10s14;s6;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O4S |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.09619 |
Area: | 566.175 |
Solvation: | -6.05818 |
Coulombic: | -49.9279 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 370.423 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.84 |
LogP (Chemaxon): | 3.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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