Chemical ID: 7132115

Cc1ccc(cc1)COc2ccc(cc2)C=C3C(=O)N(C(=O)S3)c4cccc(c4)O
Chemical ID:
7132115
Name [?]:
3-(3-hydroxyphenyl)-5-[[4-(p-tolylmethoxy)phenyl]methylene]thiazolidine-2,4-dione
SMILES [?]:
Cc1ccc(cc1)COc2ccc(cc2)C=C3C(=O)N(C(=O)S3)c4cccc(c4)O
InChi [?]:
InChI=1/C24H19NO4S/c1-16-5-7-18(8-6-16)15-29-21-11-9-17(10-12-21)13-22-23(27)25(24(28)30-22)19-3-2-4-20(26)14-19/h2-14,26H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,3,7,4,6,12,14,11,15,16,29,8,2,13,5,24,28,10,17,18,21,20,30,19,22,9,23/E:(5,6)(7,8)(9,10)(11,12)/rA:30nCCCCCCCCOCCCCCCCCCONCOSCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;d18;s18;s20;d21;s17s21;s20;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19NO4S
All Atoms:49
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.4245
Area:649.953
Solvation:-4.82429
Coulombic:-53.1492
Bond Count [?]
All:33
Single:21
Double:12
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:417.478
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.8
LogP (Chemaxon):5.46

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