Chemical ID: 6190682

COc1ccc(c(c1OC)OC)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2
Chemical ID:
6190682
Name [?]:
2-(4-hydroxyphenyl)imino-5-[(2,3,4-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1OC)OC)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C19H18N2O5S/c1-24-14-9-4-11(16(25-2)17(14)26-3)10-15-18(23)21-19(27-15)20-12-5-7-13(22)8-6-12/h4-10,22H,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,12,10,5,21,25,22,24,4,13,6,20,23,3,14,7,8,15,18,19,17,26,16,2,11,9,27/E:(5,6)(7,8)/rA:27nCOCCCCCCOCOCCCCONCNCCCCCCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s6;w13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s23;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O5S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.36457
Area:584.056
Solvation:-6.23684
Coulombic:-66.5666
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:386.423
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.03
LogP (Chemaxon):3.31

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