Chemical ID: 6883718

CCCCCCOc1ccc(cc1)C(=O)OCC(=O)Nc2cc(cc(c2)Cl)Cl
Chemical ID:
6883718
Name [?]:
(3,5-dichlorophenyl)carbamoylmethyl 4-hexoxybenzoate
SMILES [?]:
CCCCCCOc1ccc(cc1)C(=O)OCC(=O)Nc2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C21H23Cl2NO4/c1-2-3-4-5-10-27-19-8-6-15(7-9-19)21(26)28-14-20(25)24-18-12-16(22)11-17(23)13-18/h6-9,11-13H,2-5,10,14H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,10,12,9,13,6,24,22,26,17,11,23,25,21,8,18,14,28,27,20,19,15,7,16/E:(6,7)(8,9)(12,13)(16,17)(22,23)/rA:28nCCCCCCOCCCCCCCOOCCONCCCCCCClCl/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;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23Cl2NO4
All Atoms:51
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.1797
Area:702.677
Solvation:-4.38728
Coulombic:-49.8981
Bond Count [?]
All:29
Single:21
Double:8
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:424.317
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.34
LogP (Chemaxon):5.46

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Descriptor Annotations

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