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Chemical ID: 4516422
Chemical ID:
4516422
Name [?]:
5-tert-butyl-2-[4-(5-tert-butylbenzooxazol-2-yl)butyl]benzooxazole
SMILES [?]:
CC(C)(C)c1ccc2c(c1)nc(o2)CCCCc3nc4cc(ccc4o3)C(C)(C)C
InChi [?]:
InChI=1/C26H32N2O2/c1-25(2,3)17-11-13-21-19(15-17)27-23(29-21)9-7-8-10-24-28-20-16-18(26(4,5)6)12-14-22(20)30-24/h11-16H,7-10H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,28,29,30,15,16,14,17,6,23,7,24,10,21,5,22,9,20,8,25,12,18,2,27,11,19,13,26/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/rA:30nCCCCCCCCCCNCOCCCCCNCCCCCCOCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;d11;s8s12;s12;s14;s15;s16;s17;d18;s19;s20;d21;s22;d23;d20s24;s18s25;s22;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H32N2O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.5567 |
Area: | 677.406 |
Solvation: | -2.37843 |
Coulombic: | -30.3743 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 404.545 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.69 |
LogP (Chemaxon): | 8.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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