Chemical ID: 6892118

CCCCCCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(c(c2)Cl)C
Chemical ID:
6892118
Name [?]:
(3-chloro-4-methyl-phenyl)carbamoylmethyl 4-hexoxybenzoate
SMILES [?]:
CCCCCCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(c(c2)Cl)C
InChi [?]:
InChI=1/C22H26ClNO4/c1-3-4-5-6-13-27-19-11-8-17(9-12-19)22(26)28-15-21(25)24-18-10-7-16(2)20(23)14-18/h7-12,14H,3-6,13,15H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,28,2,3,4,5,23,10,12,22,9,13,6,26,17,24,11,21,8,25,18,14,27,20,19,15,7,16/E:(8,9)(11,12)/rA:28nCCCCCCOCCCCCCCOOCCONCCCCCCClC/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;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26ClNO4
All Atoms:54
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.7345
Area:685.046
Solvation:-4.39167
Coulombic:-50.0058
Bond Count [?]
All:29
Single:21
Double:8
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:403.899
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.95
LogP (Chemaxon):5.41

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