Chemical ID: 4562806

c1ccc(cc1)C(c2ccccc2)C(=O)OCC3CCCN4C3CCCC4
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

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Descriptor Annotations

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