Chemical ID: 6908664

c1ccc(cc1)CNC(=O)COc2c(=O)c3ccccc3oc2c4ccco4
Chemical ID:
6908664
Name [?]:
N-benzyl-2-[2-(2-furyl)-4-oxo-chromen-3-yl]oxy-acetamide
SMILES [?]:
c1ccc(cc1)CNC(=O)COc2c(=O)c3ccccc3oc2c4ccco4
InChi [?]:
InChI=1/C22H17NO5/c24-19(23-13-15-7-2-1-3-8-15)14-27-22-20(25)16-9-4-5-10-17(16)28-21(22)18-11-6-12-26-18/h1-12H,13-14H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,19,26,3,5,17,20,25,27,7,11,4,16,21,24,9,14,23,13,8,10,15,28,12,22/E:(2,3)(7,8)/rA:28nCCCCCCCNCOCOCCOCCCCCCOCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17NO5
All Atoms:45
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.96342
Area:590.597
Solvation:-5.80151
Coulombic:-54.8307
Bond Count [?]
All:31
Single:20
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:375.374
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.45
LogP (Chemaxon):3.02

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