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Chemical ID: 6468862
Chemical ID:
6468862
Name [?]:
5-[(2,4-diethoxyphenyl)methylene]-3-ethyl-2-(4-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=Cc2ccc(cc2OCC)OCC)SC1=Nc3ccc(cc3)OC
InChi [?]:
InChI=1/C23H26N2O4S/c1-5-25-22(26)21(30-23(25)24-17-9-12-18(27-4)13-10-17)14-16-8-11-19(28-6-2)15-20(16)29-7-3/h8-15H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,16,30,2,18,15,9,24,28,10,25,27,7,12,8,23,26,11,13,6,4,21,22,3,5,29,17,14,20/E:(9,10)(12,13)/rA:30nCCNCOCCCCCCCCOCCOCCSCNCCCCCCOC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;s11;s17;s18;s6;s3s20;w21;s22;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O4S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0703 |
Area: | 647.07 |
Solvation: | -5.10646 |
Coulombic: | -46.6707 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 2 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 426.53 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.25 |
LogP (Chemaxon): | 4.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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