Chemical ID: 5798747

CC(C)(C)c1ccc(cc1)NC(=O)c2ccc(o2)C(=O)c3ccccc3
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

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