Chemical ID: 6882655

COc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(c(c2)Cl)Cl
Chemical ID:
6882655
Name [?]:
(3,4-dichlorophenyl)carbamoylmethyl 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C16H13Cl2NO4/c1-22-12-5-2-10(3-6-12)16(21)23-9-15(20)19-11-4-7-13(17)14(18)8-11/h2-8H,9H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,7,17,4,8,18,21,12,6,16,3,19,20,13,9,23,22,15,14,10,2,11/E:(2,3)(5,6)/rA:23nCOCCCCCCCOOCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13Cl2NO4
All Atoms:36
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.50308
Area:562.65
Solvation:-4.56318
Coulombic:-48.4063
Bond Count [?]
All:24
Single:16
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:354.184
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.86
LogP (Chemaxon):3.46

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