Chemical ID: 7349334

Cc1c(c(=O)oc2c1c(cc(c2)OC)OC)CC(=O)NCc3ccc4c(c3)OCO4
Chemical ID:
7349334
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-(5,7-dimethoxy-4-methyl-2-oxo-chromen-3-yl)-acetamide
SMILES [?]:
Cc1c(c(=O)oc2c1c(cc(c2)OC)OC)CC(=O)NCc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C22H21NO7/c1-12-15(22(25)30-19-8-14(26-2)7-18(27-3)21(12)19)9-20(24)23-10-13-4-5-16-17(6-13)29-11-28-16/h4-8H,9-11H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,14,16,23,24,27,10,12,17,21,29,2,22,11,3,25,26,9,7,18,8,4,20,19,5,13,15,30,28,6/rA:30nCCCCOOCCCCCCOCOCCCONCCCCCCCOCO/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s11;s13;s9;s15;s3;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s26;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21NO7
All Atoms:51
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:8.69847
Area:617.871
Solvation:-6.7483
Coulombic:-68.5495
Bond Count [?]
All:33
Single:24
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:411.405
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.56
LogP (Chemaxon):2.55

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