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Chemical ID: 4559296
Chemical ID:
4559296
Name [?]:
3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
SMILES [?]:
CC12CN(CC(C1O)(CN(C2)Cc3ccccc3)C)Cc4ccccc4
InChi [?]:
InChI=1/C23H30N2O/c1-22-15-24(13-19-9-5-3-6-10-19)17-23(2,21(22)26)18-25(16-22)14-20-11-7-4-8-12-20/h3-12,21,26H,13-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,16,24,15,17,23,25,14,18,22,26,12,20,11,3,9,5,13,21,7,2,6,10,4,8/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16,17,18)(19,20)(22,23)(24,25)/rA:26nCCCNCCCOCNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s6;s9;s2s10;s10;s12;s13;d14;s15;d16;d13s17;s6;s4;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30N2O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3617 |
Area: | 553.17 |
Solvation: | -3.46758 |
Coulombic: | -29.2899 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 350.497 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.5 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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