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Chemical ID: 6170886
Chemical ID:
6170886
Name [?]:
2-(4-ethoxyphenyl)imino-5-[(2-ethoxyphenyl)methylene]-3-propyl-thiazolidin-4-one
SMILES [?]:
CCCN1C(=O)C(=Cc2ccccc2OCC)SC1=Nc3ccc(cc3)OCC
InChi [?]:
InChI=1/C23H26N2O3S/c1-4-15-25-22(26)21(16-17-9-7-8-10-20(17)28-6-3)29-23(25)24-18-11-13-19(14-12-18)27-5-2/h7-14,16H,4-6,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,17,2,28,16,11,12,10,13,22,26,23,25,3,8,9,21,24,14,7,5,19,20,4,6,27,15,18/E:(11,12)(13,14)/rA:29nCCCNCOCCCCCCCCOCCSCNCCCCCCOCC/rB:s1;s2;s3;s4;d5;s5;w7;s8;s9;d10;s11;d12;d9s13;s14;s15;s16;s7;s4s18;w19;s20;s21;d22;s23;d24;d21s25;s24;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5667 |
Area: | 625.623 |
Solvation: | -4.07387 |
Coulombic: | -40.6752 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 410.53 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.69 |
LogP (Chemaxon): | 5.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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