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Chemical ID: 6384543
Chemical ID:
6384543
Name [?]:
2-cyclohexyl-5-[(2-cyclohexylbenzooxazol-5-yl)methyl]benzooxazole
SMILES [?]:
c1cc2c(cc1Cc3ccc4c(c3)nc(o4)C5CCCCC5)nc(o2)C6CCCCC6
InChi [?]:
InChI=1/C27H30N2O2/c1-3-7-20(8-4-1)26-28-22-16-18(11-13-24(22)30-26)15-19-12-14-25-23(17-19)29-27(31-25)21-9-5-2-6-10-21/h11-14,16-17,20-21H,1-10,15H2
InChi Info:
AuxInfo=1/0/N:20,29,19,21,28,30,18,22,27,31,9,1,10,2,7,13,5,8,6,17,26,12,4,11,3,15,24,14,23,16,25/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)/rA:31nCCCCCCCCCCCCCNCOCCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;d11;d8s12;s12;d14;s11s15;s15;s17;s18;s19;s20;s17s21;s4;d23;s3s24;s24;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H30N2O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.9895 |
Area: | 656.294 |
Solvation: | -2.41787 |
Coulombic: | -30.6154 |
Bond Count [?]
All: | 36 |
Single: | 28 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 414.539 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.66 |
LogP (Chemaxon): | 7.8 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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