Chemical ID: 5626181

CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)Nc3cccc4c3cccc4
Chemical ID:
5626181
Name [?]:
N-[3-(1-naphthylcarbamoyl)phenyl]-4-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)Nc3cccc4c3cccc4
InChi [?]:
InChI=1/C28H26N2O2/c1-28(2,3)22-16-14-20(15-17-22)26(31)29-23-11-6-10-21(18-23)27(32)30-25-13-7-9-19-8-4-5-12-24(19)25/h4-18H,1-3H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,3,4,31,30,16,25,32,26,17,15,29,24,7,9,6,10,19,27,8,18,5,14,28,23,11,20,2,13,22,12,21/E:(1,2,3)(14,15)(16,17)/rA:32nCCCCCCCCCCCONCCCCCCCONCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H26N2O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.531
Area:670.577
Solvation:-3.23345
Coulombic:-46.8746
Bond Count [?]
All:35
Single:22
Double:13
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:422.518
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:7.05
LogP (Chemaxon):6.79

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Descriptor Annotations

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