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Chemical ID: 6526241
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
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Experimental Annotations
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Descriptor Annotations
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