Chemical ID: 4516422

CC(C)(C)c1ccc2c(c1)nc(o2)CCCCc3nc4cc(ccc4o3)C(C)(C)C
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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