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Chemical ID: 7151838
Chemical ID:
7151838
Name [?]:
2-[2-ethoxy-4-[(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
SMILES [?]:
CCN1C(=O)C(=Cc2ccc(c(c2)OCC)OCC(=O)O)SC1=S
InChi [?]:
InChI=1/C16H17NO5S2/c1-3-17-15(20)13(24-16(17)23)8-10-5-6-11(22-9-14(18)19)12(7-10)21-4-2/h5-8H,3-4,9H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,16,2,15,9,10,13,7,18,8,11,12,6,19,4,23,3,20,21,5,14,17,24,22/E:(18,19)/rA:24nCCNCOCCCCCCCCOCCOCCOOSCS/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;s11;s17;s18;d19;s19;s6;s3s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO5S2 |
All Atoms: | 41 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.27554 |
Area: | 579.359 |
Solvation: | -6.20845 |
Coulombic: | -59.3209 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 367.442 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.62 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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