Chemical ID: 7142621

CCN=C1N(C(=O)C(=Cc2ccc(c(c2)OC)OCC)S1)CC
Chemical ID:
7142621
Name [?]:
5-[(4-ethoxy-3-methoxy-phenyl)methylene]-3-ethyl-2-ethylimino-thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2ccc(c(c2)OC)OCC)S1)CC
InChi [?]:
InChI=1/C17H22N2O3S/c1-5-18-17-19(6-2)16(20)15(23-17)11-12-8-9-13(22-7-3)14(10-12)21-4/h8-11H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,20,17,2,22,19,11,12,15,9,10,13,14,8,6,4,3,5,7,16,18,21/rA:23nCCNCNCOCCCCCCCCOCOCCSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s19;s4s8;s5;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O3S
All Atoms:45
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:8.63476
Area:553.619
Solvation:-5.20572
Coulombic:-38.4396
Bond Count [?]
All:24
Single:18
Double:6
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.61
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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