ChemDB: Chemical Search
Download
Chemical ID: 5720027
Chemical ID:
5720027
Name [?]:
2-(2-bromophenyl)imino-5-[(4-ethoxy-3-methoxy-phenyl)methylene]thiazol-4-ol
SMILES [?]:
CCOc1ccc(cc1OC)C=C2C(=NC(=Nc3ccccc3Br)S2)O
InChi [?]:
InChI=1/C19H17BrN2O3S/c1-3-25-15-9-8-12(10-16(15)24-2)11-17-18(23)22-19(26-17)21-14-7-5-4-6-13(14)20/h4-11H,3H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,11,2,21,20,22,19,6,5,8,12,7,23,18,4,9,13,14,16,24,17,15,26,10,3,25/rA:26nCCOCCCCCCOCCCCNCNCCCCCCBrSO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s13s16;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17BrN2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85078 |
Area: | 596.288 |
Solvation: | -5.05641 |
Coulombic: | -45.638 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 433.32 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.18 |
LogP (Chemaxon): | 5.67 |
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 |
---|