Chemical ID: 7699048

Cc1ccc(c(c1)OCC(=O)NCc2ccccn2)C(C)C
Chemical ID:
7699048
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)NCc2ccccn2)C(C)C
InChi [?]:
InChI=1/C18H22N2O2/c1-13(2)16-8-7-14(3)10-17(16)22-12-18(21)20-11-15-6-4-5-9-19-15/h4-10,13H,11-12H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:21,22,1,16,17,15,3,4,18,7,13,9,20,2,14,5,6,10,19,12,11,8/E:(1,2)/rA:22nCCCCCCCOCCONCCCCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s5;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22N2O2
All Atoms:44
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:9.1255
Area:537.63
Solvation:-4.31525
Coulombic:-34.4031
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.29
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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