ChemDB: Chemical Search
Download
Chemical ID: 7390147
Chemical ID:
7390147
Name [?]:
6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyleneamino]-1H-indole-2-carboxamide
SMILES [?]:
COc1ccc2cc([nH]c2c1)C(=O)NN=Cc3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C20H21N3O5/c1-25-14-6-5-13-9-16(22-15(13)10-14)20(24)23-21-11-12-7-17(26-2)19(28-4)18(8-12)27-3/h5-11,22H,1-4H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,28,26,5,4,22,18,7,11,16,17,6,3,10,8,21,19,20,12,15,9,14,13,2,23,27,25/E:(2,3)(7,8)(17,18)(26,27)/rA:28nCOCCCCCCNCCCONNCCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d6s9;d3s10;s8;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s19;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3O5 |
All Atoms: | 49 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.71668 |
Area: | 622.283 |
Solvation: | -8.84039 |
Coulombic: | -59.0855 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 383.398 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.42 |
LogP (Chemaxon): | 2.4 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|