Chemical ID: 4563001

c1ccc(cc1)CC(=O)OCC2CCCN3C2CCCC3
Chemical ID:
4563001
Name [?]:
2,3,4,5,6,7,8,8a-octahydro-1H-quinolizin-1-ylmethyl 2-phenylacetate
SMILES [?]:
c1ccc(cc1)CC(=O)OCC2CCCN3C2CCCC3
InChi [?]:
InChI=1/C18H25NO2/c20-18(13-15-7-2-1-3-8-15)21-14-16-9-6-12-19-11-5-4-10-17(16)19/h1-3,7-8,16-17H,4-6,9-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,19,20,14,3,5,13,18,21,15,7,11,4,12,17,8,16,9,10/E:(2,3)(7,8)/rA:21cCCCCCCCCOOCCCCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s15;s12s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H25NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:3
ZAP Information [?]
Total:9.97236
Area:493.049
Solvation:-2.35387
Coulombic:-24.8524
Bond Count [?]
All:23
Single:19
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:287.397
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.26
LogP (Chemaxon):2.95

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Descriptor Annotations

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