ChemDB: Chemical Search
Download
Chemical ID: 7021666
Chemical ID:
7021666
Name [?]:
2-(2-bromophenoxy)-N-(5-methyl-2-oxo-1-pentyl-indolin-3-ylidene)amino-acetamide
SMILES [?]:
CCCCCN1c2ccc(cc2C(=NNC(=O)COc3ccccc3Br)C1=O)C
InChi [?]:
InChI=1/C22H24BrN3O3/c1-3-4-7-12-26-18-11-10-15(2)13-16(18)21(22(26)28)25-24-20(27)14-29-19-9-6-5-8-17(19)23/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,29,2,3,23,22,4,24,21,9,8,5,11,18,10,12,25,7,20,16,13,27,26,15,14,6,17,28,19/rA:29nCCCCCNCCCCCCCNNCOCOCCCCCCBrCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;w13;s14;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s25;s6s13;d27;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24BrN3O3 |
All Atoms: | 53 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7626 |
Area: | 672.675 |
Solvation: | -5.05425 |
Coulombic: | -46.3798 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 458.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.84 |
LogP (Chemaxon): | 5.04 |
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 |
---|