Chemical ID: 7142654

CCN=C1N(C(=O)C(=Cc2cc(c(c(c2)OC)OC)OC)S1)CC
Chemical ID:
7142654
Name [?]:
3-ethyl-2-ethylimino-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2cc(c(c(c2)OC)OC)OC)S1)CC
InChi [?]:
InChI=1/C17H22N2O4S/c1-6-18-17-19(7-2)16(20)14(24-17)10-11-8-12(21-3)15(23-5)13(9-11)22-4/h8-10H,6-7H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,24,17,21,19,2,23,15,11,9,10,14,12,8,13,6,4,3,5,7,16,20,18,22/E:(3,4)(8,9)(12,13)(21,22)/rA:24nCCNCNCOCCCCCCCCOCOCOCSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s12;s20;s4s8;s5;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O4S
All Atoms:46
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:7.39858
Area:548.198
Solvation:-6.30637
Coulombic:-45.3729
Bond Count [?]
All:25
Single:19
Double:6
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.97
LogP (Chemaxon):None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue