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Chemical ID: 5640385
Chemical ID:
5640385
Name [?]:
N-[3-(5-methylbenzooxazol-2-yl)phenyl]-4-tert-butyl-benzamide
SMILES [?]:
Cc1ccc2c(c1)nc(o2)c3cccc(c3)NC(=O)c4ccc(cc4)C(C)(C)C
InChi [?]:
InChI=1/C25H24N2O2/c1-16-8-13-22-21(14-16)27-24(29-22)18-6-5-7-20(15-18)26-23(28)17-9-11-19(12-10-17)25(2,3)4/h5-15H,1-4H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,27,28,29,13,12,14,3,21,25,22,24,4,7,16,2,20,11,23,15,6,5,18,9,26,17,8,19,10/E:(2,3,4)(9,10)(11,12)/rA:29nCCCCCCCNCOCCCCCCNCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1351 |
Area: | 628.957 |
Solvation: | -2.58885 |
Coulombic: | -39.2979 |
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: | 6.38 |
LogP (Chemaxon): | 7.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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