Chemical ID: 7142656

CCN=C1N(C(=O)C(=Cc2ccc(c(c2)OCC)O)S1)CC
Chemical ID:
7142656
Name [?]:
5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-3-ethyl-2-ethylimino-thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2ccc(c(c2)OCC)O)S1)CC
InChi [?]:
InChI=1/C16H20N2O3S/c1-4-17-16-18(5-2)15(20)14(22-16)10-11-7-8-12(19)13(9-11)21-6-3/h7-10,19H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,18,2,21,17,11,12,15,9,10,13,14,8,6,4,3,5,19,7,16,20/rA:22nCCNCNCOCCCCCCCCOCCOSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s14;s16;s17;s13;s4s8;s5;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O3S
All Atoms:42
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:9.03534
Area:532.264
Solvation:-4.27125
Coulombic:-47.6996
Bond Count [?]
All:23
Single:17
Double:6
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.56
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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