Chemical ID: 7028584

CCOC(=O)c1ccc(cc1)NC(=O)c2ccc(o2)c3ccc(cc3Cl)Cl
Chemical ID:
7028584
Name [?]:
ethyl 4-[[5-(2,4-dichlorophenyl)-2-furyl]carbonylamino]benzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)c2ccc(o2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C20H15Cl2NO4/c1-2-26-20(25)12-3-6-14(7-4-12)23-19(24)18-10-9-17(27-18)15-8-5-13(21)11-16(15)22/h3-11H,2H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,7,11,22,8,10,21,17,16,24,6,23,9,20,25,18,15,13,4,27,26,12,14,5,3,19/E:(3,4)(6,7)/rA:27nCCOCOCCCCCCNCOCCCCOCCCCCCClCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;d15;s16;d17;s15s18;s18;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15Cl2NO4
All Atoms:42
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.6455
Area:631.341
Solvation:-3.13807
Coulombic:-52.2071
Bond Count [?]
All:29
Single:19
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:404.243
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.25
LogP (Chemaxon):4.43

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