Chemical ID: 7151838

CCN1C(=O)C(=Cc2ccc(c(c2)OCC)OCC(=O)O)SC1=S
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

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