Chemical ID: 6557137

COc1cc(cc(c1)OC)C(=O)OCC(=O)Nc2cc(cc(c2)Cl)Cl
Chemical ID:
6557137
Name [?]:
(3,5-dichlorophenyl)carbamoylmethyl 3,5-dimethoxybenzoate
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)OCC(=O)Nc2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C17H15Cl2NO5/c1-23-14-3-10(4-15(8-14)24-2)17(22)25-9-16(21)20-13-6-11(18)5-12(19)7-13/h3-8H,9H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,10,4,6,21,19,23,8,14,5,20,22,18,3,7,15,11,25,24,17,16,12,2,9,13/E:(1,2)(3,4)(6,7)(11,12)(14,15)(18,19)(23,24)/rA:25nCOCCCCCCOCCOOCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15Cl2NO5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.22721
Area:603.509
Solvation:-5.86051
Coulombic:-53.8367
Bond Count [?]
All:26
Single:18
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:384.21
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.77
LogP (Chemaxon):3.21

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