ChemDB: Chemical Search
Download
Chemical ID: 4562806
Chemical ID:
4562806
Name [?]:
2,3,4,5,6,7,8,8a-octahydro-1H-quinolizin-1-ylmethyl 2,2-diphenylacetate
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)C(=O)OCC3CCCN4C3CCCC4
InChi [?]:
InChI=1/C24H29NO2/c26-24(27-18-21-14-9-17-25-16-8-7-15-22(21)25)23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,10-13,21-23H,7-9,14-18H2
InChi Info:
AuxInfo=1/0/N:1,11,2,6,10,12,25,26,20,3,5,9,13,19,24,27,21,17,4,8,18,23,7,14,22,15,16/E:(1,2)(3,4,5,6)(10,11,12,13)(19,20)/rA:27cCCCCCCCCCCCCCCOOCCCCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;s17;s18;s19;s20;s21;s18s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H29NO2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 12.1645 |
Area: | 586.453 |
Solvation: | -2.49679 |
Coulombic: | -27.6684 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 363.493 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.93 |
LogP (Chemaxon): | 4.73 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|