ChemDB: Chemical Search
Download
Chemical ID: 5798747
Chemical ID:
5798747
Name [?]:
5-benzoyl-N-(4-tert-butylphenyl)-furan-2-carboxamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)NC(=O)c2ccc(o2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C22H21NO3/c1-22(2,3)16-9-11-17(12-10-16)23-21(25)19-14-13-18(26-19)20(24)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,3,4,24,23,25,22,26,6,10,7,9,16,15,21,5,8,17,14,19,12,2,11,20,13,18/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCCCCCCCNCOCCCCOCOCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;d14;s15;d16;s14s17;s17;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21NO3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0158 |
Area: | 575.456 |
Solvation: | -2.3706 |
Coulombic: | -43.6936 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 347.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.08 |
LogP (Chemaxon): | 4.66 |
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 |
---|