ChemDB: Chemical Search
Download
Chemical ID: 7028738
Chemical ID:
7028738
Name [?]:
N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-5-(2,5-dichlorophenyl)-furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1Cl)Cc2cnc(s2)NC(=O)c3ccc(o3)c4cc(ccc4Cl)Cl
InChi [?]:
InChI=1/C22H15Cl3N2O2S/c1-12-2-3-13(9-18(12)25)8-15-11-26-22(30-15)27-21(28)20-7-6-19(29-20)16-10-14(23)4-5-17(16)24/h2-7,9-11H,8H2,1H3,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,3,4,26,27,20,19,9,6,24,11,2,5,25,10,23,28,7,21,18,16,13,30,29,8,12,15,17,22,14/rA:30nCCCCCCCClCCCNCSNCOCCCCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;d18;s19;d20;s18s21;s21;s23;d24;s25;d26;d23s27;s28;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H15Cl3N2O2S |
All Atoms: | 45 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.234 |
Area: | 701.697 |
Solvation: | -3.30838 |
Coulombic: | -38.2651 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 477.791 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.69 |
LogP (Chemaxon): | 6.46 |
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 |
---|