ChemDB: Chemical Search
Download
Chemical ID: 7367259
Chemical ID:
7367259
Name [?]:
N-[5-[(4-chlorophenyl)methyl]thiazol-2-yl]-4-phenoxy-benzamide
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)C(=O)Nc3ncc(s3)Cc4ccc(cc4)Cl
InChi [?]:
InChI=1/C23H17ClN2O2S/c24-18-10-6-16(7-11-18)14-21-15-25-23(29-21)26-22(27)17-8-12-20(13-9-17)28-19-4-2-1-3-5-19/h1-13,15H,14H2,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,24,28,10,12,25,27,9,13,22,19,23,11,26,4,8,20,14,17,29,18,16,15,7,21/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:29nCCCCCCOCCCCCCCONCNCCSCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;d17;s18;d19;s17s20;s20;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H17ClN2O2S |
All Atoms: | 46 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5194 |
Area: | 657.434 |
Solvation: | -3.91642 |
Coulombic: | -37.1311 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 420.912 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.05 |
LogP (Chemaxon): | 5.99 |
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 |
---|