Chemical ID: 6892082

CCCCCCOc1ccc(cc1)C(=O)OCC(=O)Nc2cccc(c2)Cl
Chemical ID:
6892082
Name [?]:
(3-chlorophenyl)carbamoylmethyl 4-hexoxybenzoate
SMILES [?]:
CCCCCCOc1ccc(cc1)C(=O)OCC(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C21H24ClNO4/c1-2-3-4-5-13-26-19-11-9-16(10-12-19)21(25)27-15-20(24)23-18-8-6-7-17(22)14-18/h6-12,14H,2-5,13,15H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,23,24,22,10,12,9,13,6,26,17,11,25,21,8,18,14,27,20,19,15,7,16/E:(9,10)(11,12)/rA:27nCCCCCCOCCCCCCCOOCCONCCCCCCCl/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;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24ClNO4
All Atoms:51
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.3271
Area:668.617
Solvation:-4.38836
Coulombic:-50.0952
Bond Count [?]
All:28
Single:20
Double:8
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:389.872
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.72
LogP (Chemaxon):4.94

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