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Chemical ID: 5291850
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
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Experimental Annotations
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Descriptor Annotations
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