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Chemical ID: 5533584
Chemical ID:
5533584
Name [?]:
N-(5-benzooxazol-2-yl-2-methyl-phenyl)-4-tert-butyl-benzamide
SMILES [?]:
Cc1ccc(cc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4ccccc4o3
InChi [?]:
InChI=1/C25H24N2O2/c1-16-9-10-18(24-27-20-7-5-6-8-22(20)29-24)15-21(16)26-23(28)17-11-13-19(14-12-17)25(2,3)4/h5-15H,1-4H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,18,19,20,25,26,24,27,3,4,12,16,13,15,6,2,11,5,14,23,7,28,9,21,17,8,22,10,29/E:(2,3,4)(11,12)(13,14)/rA:29nCCCCCCCNCOCCCCCCCCCCCNCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s17;s17;s5;d21;s22;s23;d24;s25;d26;d23s27;s21s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9806 |
Area: | 620.225 |
Solvation: | -2.52498 |
Coulombic: | -39.4802 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 384.47 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.17 |
LogP (Chemaxon): | 6.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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