Chemical ID: 4494361

COc1ccc(cc1NC(=O)c2ccco2)NC(=O)COc3ccc(cc3)Cl
Chemical ID:
4494361
Name [?]:
N-[5-[2-(4-chlorophenoxy)acetyl]amino-2-methoxy-phenyl]furan-2-carboxamide
SMILES [?]:
COc1ccc(cc1NC(=O)c2ccco2)NC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H17ClN2O5/c1-26-17-9-6-14(11-16(17)23-20(25)18-3-2-10-27-18)22-19(24)12-28-15-7-4-13(21)5-8-15/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,14,13,24,26,5,23,27,4,15,7,20,25,6,22,8,3,12,18,10,28,17,9,19,11,2,16,21/E:(4,5)(7,8)/rA:28nCOCCCCCCNCOCCCCONCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;d12;s13;d14;s12s15;s6;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17ClN2O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.3532
Area:633.019
Solvation:-6.47227
Coulombic:-65.0936
Bond Count [?]
All:30
Single:20
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:400.812
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.88
LogP (Chemaxon):3.15

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue