Chemical ID: 5291850

CCOC(=O)C1CCN(CC1)Cc2cc(=O)oc3c2ccc(c3)OC
Chemical ID:
5291850
Name [?]:
ethyl 1-[(7-methoxy-2-oxo-chromen-4-yl)methyl]piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)Cc2cc(=O)oc3c2ccc(c3)OC
InChi [?]:
InChI=1/C19H23NO5/c1-3-24-19(22)13-6-8-20(9-7-13)12-14-10-18(21)25-17-11-15(23-2)4-5-16(14)17/h4-5,10-11,13H,3,6-9,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,21,20,7,11,8,10,14,23,12,6,13,22,19,18,15,4,9,16,5,24,3,17/E:(6,7)(8,9)/rA:25nCCOCOCCCNCCCCCCOOCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;s12;d13;s14;d15;s15;s17;s13s18;d19;s20;d21;d18s22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23NO5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.96185
Area:558.46
Solvation:-4.99964
Coulombic:-48.169
Bond Count [?]
All:27
Single:21
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:345.39
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.02
LogP (Chemaxon):2.17

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue