Chemical ID: 4526035

c1ccc(cc1)NC(=O)c2cc(cc(c2)C(=O)Nc3ccccc3C(=O)O)C(=O)Nc4ccccc4
Chemical ID:
4526035
Name [?]:
2-[3,5-bis(phenylcarbamoyl)benzoyl]aminobenzoic acid
SMILES [?]:
c1ccc(cc1)NC(=O)c2cc(cc(c2)C(=O)Nc3ccccc3C(=O)O)C(=O)Nc4ccccc4
InChi [?]:
InChI=1/C28H21N3O5/c32-25(29-21-9-3-1-4-10-21)18-15-19(26(33)30-22-11-5-2-6-12-22)17-20(16-18)27(34)31-24-14-8-7-13-23(24)28(35)36/h1-17H,(H,29,32)(H,30,33)(H,31,34)(H,35,36)
InChi Info:
AuxInfo=1/1/N:1,34,2,6,33,35,22,21,3,5,32,36,23,20,11,15,13,10,12,14,4,31,24,19,8,28,16,25,7,30,18,9,29,17,26,27/E:(1,2)(3,4,5,6)(9,10,11,12)(16,17)(18,19)(21,22)(25,26)(29,30)(32,33)(35,36)/gE:(1,2)/rA:36nCCCCCCNCOCCCCCCCONCCCCCCCOOCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;d25;s25;s12;d28;s28;s30;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H21N3O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:13.1903
Area:727.973
Solvation:-5.00906
Coulombic:-93.1028
Bond Count [?]
All:39
Single:23
Double:16
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:479.484
H-Bond Donors:4
H-Bond Acceptors:8
XLogP:5.19
LogP (Chemaxon):5.38

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