ChemDB: Chemical Search
Download
Chemical ID: 4268800
Chemical ID:
4268800
Name [?]:
N,N'-bis(2-benzoylphenyl)terephthalamide
SMILES [?]:
c1ccc(cc1)C(=O)c2ccccc2NC(=O)c3ccc(cc3)C(=O)Nc4ccccc4C(=O)c5ccccc5
InChi [?]:
InChI=1/C34H24N2O4/c37-31(23-11-3-1-4-12-23)27-15-7-9-17-29(27)35-33(39)25-19-21-26(22-20-25)34(40)36-30-18-10-8-16-28(30)32(38)24-13-5-2-6-14-24/h1-22H,(H,35,39)(H,36,40)
InChi Info:
AuxInfo=1/1/N:1,38,2,6,37,39,11,30,12,29,3,5,36,40,10,31,13,28,19,23,20,22,4,35,18,21,9,32,14,27,7,33,16,24,15,26,8,34,17,25/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12,13,14)(15,16)(17,18)(19,20,21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)/gE:(1,2)/rA:40nCCCCCCCOCCCCCCNCOCCCCCCCONCCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;d24;s24;s26;s27;d28;s29;d30;d27s31;s32;d33;s33;s35;d36;s37;d38;d35s39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C34H24N2O4 |
All Atoms: | 40 |
Heavy Atoms: | 40 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 15.2669 |
Area: | 783.369 |
Solvation: | -4.31731 |
Coulombic: | -66.239 |
Bond Count [?]
All: | 44 |
Single: | 25 |
Double: | 19 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 524.565 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 7.93 |
LogP (Chemaxon): | 7.9 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|