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Chemical ID: 4279681
Chemical ID:
4279681
Name [?]:
2-(dibenzylcarbamoyl)benzoic acid
SMILES [?]:
c1ccc(cc1)CN(Cc2ccccc2)C(=O)c3ccccc3C(=O)O
InChi [?]:
InChI=1/C22H19NO3/c24-21(19-13-7-8-14-20(19)22(25)26)23(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,13,2,6,12,14,20,21,3,5,11,15,19,22,7,9,4,10,18,23,16,24,8,17,25,26/E:(1,2)(3,4,5,6)(9,10,11,12)(15,16)(17,18)(25,26)/rA:26nCCCCCCCNCCCCCCCCOCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;d19;s20;d21;d18s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19NO3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.6454 |
Area: | 529.974 |
Solvation: | -3.60395 |
Coulombic: | -47.7554 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 345.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.6 |
LogP (Chemaxon): | 4.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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