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Chemical ID: 4658073
Chemical ID:
4658073
Name [?]:
5-[(4-ethoxyphenyl)methylene]-3-(p-tolylmethyl)thiazolidine-2,4-dione
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)N(C(=O)S2)Cc3ccc(cc3)C
InChi [?]:
InChI=1/C20H19NO3S/c1-3-24-17-10-8-15(9-11-17)12-18-19(22)21(20(23)25-18)13-16-6-4-14(2)5-7-16/h4-12H,3,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,21,23,20,24,6,8,5,9,10,18,22,7,19,4,11,12,15,14,13,16,3,17/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCOCCCCCCCCCONCOSCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s11s15;s14;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5516 |
Area: | 560.416 |
Solvation: | -3.45877 |
Coulombic: | -37.4219 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 353.436 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.06 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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