ChemDB: Chemical Search
Download
Chemical ID: 7021582
Chemical ID:
7021582
Name [?]:
5-bromo-2-hydroxy-N-(5-methyl-2-oxo-1-propyl-indolin-3-ylidene)amino-benzamide
SMILES [?]:
CCCN1c2ccc(cc2C(=NNC(=O)c3cc(ccc3O)Br)C1=O)C
InChi [?]:
InChI=1/C19H18BrN3O3/c1-3-8-23-15-6-4-11(2)9-13(15)17(19(23)26)21-22-18(25)14-10-12(20)5-7-16(14)24/h4-7,9-10,24H,3,8H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,26,2,7,19,6,20,3,9,17,8,18,10,16,5,21,11,14,24,23,12,13,4,22,15,25/rA:26nCCCNCCCCCCCNNCOCCCCCCOBrCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s18;s4s11;d24;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18BrN3O3 |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7335 |
Area: | 584.527 |
Solvation: | -3.87966 |
Coulombic: | -54.2869 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 416.269 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.04 |
LogP (Chemaxon): | 4.84 |
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 |
---|