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Chemical ID: 5626181
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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