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Chemical ID: 7140133
Chemical ID:
7140133
Name [?]:
5-[(2,4-dimethoxyphenyl)methylene]-2-(2-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)OC)C=C2C(=O)NC(=Nc3ccccc3OC)S2
InChi [?]:
InChI=1/C19H18N2O4S/c1-23-13-9-8-12(16(11-13)25-3)10-17-18(22)21-19(26-17)20-14-6-4-5-7-15(14)24-2/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,10,20,21,19,22,5,4,11,8,6,3,18,23,7,12,13,16,17,15,14,2,24,9,26/rA:26nCOCCCCCCOCCCCONCNCCCCCCOCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s24;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O4S |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49299 |
Area: | 574.655 |
Solvation: | -5.87338 |
Coulombic: | -50.2399 |
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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