Chemical ID: 7140148

COc1ccc(c(c1)C=C2C(=O)NC(=Nc3ccccc3OC)S2)OC
Chemical ID:
7140148
Name [?]:
5-[(2,5-dimethoxyphenyl)methylene]-2-(2-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)C=C2C(=O)NC(=Nc3ccccc3OC)S2)OC
InChi [?]:
InChI=1/C19H18N2O4S/c1-23-13-8-9-15(24-2)12(10-13)11-17-18(22)21-19(26-17)20-14-6-4-5-7-16(14)25-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,26,23,18,19,17,20,4,5,8,9,7,3,16,6,21,10,11,14,15,13,12,2,25,22,24/rA:26nCOCCCCCCCCCONCNCCCCCCOCSOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s10s14;s6;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O4S
All Atoms:44
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.09619
Area:566.175
Solvation:-6.05818
Coulombic:-49.9279
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:370.423
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.84
LogP (Chemaxon):3.59

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