Chemical ID: 6526241

COc1ccc(cc1)C(=O)Nc2cc(c(c(c2)OC)OC)OC
Chemical ID:
6526241
Name [?]:
4-methoxy-N-(3,4,5-trimethoxyphenyl)-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C17H19NO5/c1-20-13-7-5-11(6-8-13)17(19)18-12-9-14(21-2)16(23-4)15(10-12)22-3/h5-10H,1-4H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,23,21,5,7,4,8,17,13,6,12,3,16,14,15,9,11,10,2,18,22,20/E:(2,3)(5,6)(7,8)(9,10)(14,15)(21,22)/rA:23nCOCCCCCCCONCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s14;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NO5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:5.70696
Area:521.425
Solvation:-7.32868
Coulombic:-49.7512
Bond Count [?]
All:24
Single:17
Double:7
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:317.336
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.25
LogP (Chemaxon):2.09

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