Chemical ID: 7148215

CCN1C(=O)C(=Cc2ccccc2OCc3ccccc3)SC1=Nc4cccc(c4)C(=O)O
Chemical ID:
7148215
Name [?]:
3-[5-[(2-benzyloxyphenyl)methylene]-3-ethyl-4-oxo-thiazolidin-2-ylidene]aminobenzoic acid
SMILES [?]:
CCN1C(=O)C(=Cc2ccccc2OCc3ccccc3)SC1=Nc4cccc(c4)C(=O)O
InChi [?]:
InChI=1/C26H22N2O4S/c1-2-28-24(29)23(33-26(28)27-21-13-8-12-20(15-21)25(30)31)16-19-11-6-7-14-22(19)32-17-18-9-4-3-5-10-18/h3-16H,2,17H2,1H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,10,11,27,17,21,9,28,26,12,30,7,15,16,8,29,25,13,6,4,31,23,24,3,5,32,33,14,22/E:(4,5)(9,10)(30,31)/rA:33nCCNCOCCCCCCCCOCCCCCCCSCNCCCCCCCOO/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s6;s3s22;w23;s24;s25;d26;s27;d28;d25s29;s29;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H22N2O4S
All Atoms:55
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.8782
Area:683.255
Solvation:-4.20317
Coulombic:-62.2196
Bond Count [?]
All:36
Single:23
Double:13
Rotors:7
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:458.53
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.9
LogP (Chemaxon):5.76

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