ChemDB: Chemical Search
Download
Chemical ID: 5448806
Chemical ID:
5448806
Name [?]:
N-[5-[(2,4-dichlorophenyl)methyl]thiazol-2-yl]-2-ethoxy-benzamide
SMILES [?]:
CCOc1ccccc1C(=O)Nc2ncc(s2)Cc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C19H16Cl2N2O2S/c1-2-25-17-6-4-3-5-15(17)18(24)23-19-22-11-14(26-19)9-12-7-8-13(20)10-16(12)21/h3-8,10-11H,2,9H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,20,21,18,23,15,19,22,16,9,24,4,10,13,26,25,14,12,11,3,17/rA:26nCCOCCCCCCCONCNCCSCCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;s18;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16Cl2N2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4107 |
Area: | 614.766 |
Solvation: | -4.95849 |
Coulombic: | -34.4955 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 407.314 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.53 |
LogP (Chemaxon): | 5.17 |
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 |
---|