Chemical ID: 5560669

CCN=C1N(C(=O)C(=Cc2ccc(c(c2)OCC)OC)S1)CC
Chemical ID:
5560669
Name [?]:
5-[(3-ethoxy-4-methoxy-phenyl)methylene]-3-ethyl-2-ethylimino-thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2ccc(c(c2)OCC)OC)S1)CC
InChi [?]:
InChI=1/C17H22N2O3S/c1-5-18-17-19(6-2)16(20)15(23-17)11-12-8-9-13(21-4)14(10-12)22-7-3/h8-11H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,18,20,2,22,17,11,12,15,9,10,13,14,8,6,4,3,5,7,19,16,21/rA:23nCCNCNCOCCCCCCCCOCCOCSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s14;s16;s17;s13;s19;s4s8;s5;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.24915
Area:541.646
Solvation:-5.29201
Coulombic:-38.1951
Bond Count [?]
All:24
Single:18
Double:6
Rotors:6
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:334.434
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.61
LogP (Chemaxon):3.01

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Descriptor Annotations

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