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Chemical ID: 5862809
Chemical ID:
5862809
Name [?]:
N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]-3,4,5-trimethoxy-benzamide
SMILES [?]:
COc1ccc(c(c1)OC)CNCCNC(=O)c2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C21H28N2O6/c1-25-16-7-6-14(17(12-16)26-2)13-22-8-9-23-21(24)15-10-18(27-3)20(29-5)19(11-15)28-4/h6-7,10-12,22H,8-9,13H2,1-5H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,10,25,29,27,5,4,13,14,23,19,8,11,6,18,3,7,22,20,21,16,12,15,17,2,9,24,28,26/E:(3,4)(10,11)(18,19)(27,28)/rA:29nCOCCCCCCOCCNCCNCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;s12;s13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s20;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H28N2O6 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.50534 |
Area: | 663.795 |
Solvation: | -9.08953 |
Coulombic: | -65.5511 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 404.457 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 1.92 |
LogP (Chemaxon): | 1.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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