Chemical ID: 6878614

CCCCCCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2)F
Chemical ID:
6878614
Name [?]:
(4-fluorophenyl)carbamoylmethyl 4-hexoxybenzoate
SMILES [?]:
CCCCCCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2)F
InChi [?]:
InChI=1/C21H24FNO4/c1-2-3-4-5-14-26-19-12-6-16(7-13-19)21(25)27-15-20(24)23-18-10-8-17(22)9-11-18/h6-13H,2-5,14-15H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,10,12,23,25,22,26,9,13,6,17,11,24,21,8,18,14,27,20,19,15,7,16/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCCCCCCOCCCCCCCOOCCONCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24FNO4
All Atoms:51
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.8076
Area:642.445
Solvation:-5.25353
Coulombic:-52.8806
Bond Count [?]
All:28
Single:20
Double:8
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:373.418
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.26
LogP (Chemaxon):4.56

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