Chemical ID: 6453321

CCc1ccc(cc1)C=C2C(=O)N(C(=Nc3ccc(cc3)C)S2)c4ccc(cc4)C
Chemical ID:
6453321
Name [?]:
5-[(4-ethylphenyl)methylene]-3-(p-tolyl)-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)C=C2C(=O)N(C(=Nc3ccc(cc3)C)S2)c4ccc(cc4)C
InChi [?]:
InChI=1/C26H24N2OS/c1-4-20-9-11-21(12-10-20)17-24-25(29)28(23-15-7-19(3)8-16-23)26(30-24)27-22-13-5-18(2)6-14-22/h5-17H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,30,2,18,20,26,28,4,8,5,7,17,21,25,29,9,19,27,3,6,16,24,10,11,14,15,13,12,23/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:30nCCCCCCCCCCCONCNCCCCCCCSCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;s13;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H24N2OS
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.4825
Area:585.951
Solvation:-2.16629
Coulombic:-27.1795
Bond Count [?]
All:33
Single:21
Double:12
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:412.548
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.57
LogP (Chemaxon):8.08

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