Chemical ID: 5272452

COc1ccc(c(c1)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2)OC
Chemical ID:
5272452
Name [?]:
5-[(2,5-dimethoxyphenyl)methylene]-2-(4-hydroxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2)OC
InChi [?]:
InChI=1/C18H16N2O4S/c1-23-14-7-8-15(24-2)11(9-14)10-16-17(22)20-18(25-16)19-12-3-5-13(21)6-4-12/h3-10,21H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,25,17,21,18,20,4,5,8,9,7,16,19,3,6,10,11,14,15,13,22,12,2,24,23/E:(3,4)(5,6)/rA:25nCOCCCCCCCCCONCNCCCCCCOSOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;s6;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.34852
Area:553.667
Solvation:-5.49314
Coulombic:-57.8677
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:356.397
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.52
LogP (Chemaxon):3.56

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