Chemical ID: 4849979

COc1cc(cc(c1OC)OC)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2
Chemical ID:
4849979
Name [?]:
2-(4-hydroxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1cc(cc(c1OC)OC)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C19H18N2O5S/c1-24-14-8-11(9-15(25-2)17(14)26-3)10-16-18(23)21-19(27-16)20-12-4-6-13(22)7-5-12/h4-10,22H,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,12,10,21,25,22,24,4,6,13,5,20,23,3,7,14,8,15,18,19,17,26,16,2,11,9,27/E:(1,2)(4,5)(6,7)(8,9)(14,15)(24,25)/rA:27nCOCCCCCCOCOCCCCONCNCCCCCCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;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:7.25725
Area:583.719
Solvation:-7.33571
Coulombic:-65.098
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