ChemDB: Chemical Search
Download
Chemical ID: 5470650
Chemical ID:
5470650
Name [?]:
4-benzyloxy-N-[5-[(3,4-dichlorophenyl)methyl]thiazol-2-yl]-benzamide
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)C(=O)Nc3ncc(s3)Cc4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C24H18Cl2N2O2S/c25-21-11-6-17(13-22(21)26)12-20-14-27-24(31-20)28-23(29)18-7-9-19(10-8-18)30-15-16-4-2-1-3-5-16/h1-11,13-14H,12,15H2,(H,27,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,25,11,13,10,14,26,23,29,20,7,4,24,12,9,21,27,28,15,18,31,30,19,17,16,8,22/E:(2,3)(4,5)(7,8)(9,10)/rA:31nCCCCCCCOCCCCCCCONCNCCSCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;d18;s19;d20;s18s21;s21;s23;s24;d25;s26;d27;d24s28;s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18Cl2N2O2S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2611 |
Area: | 714.89 |
Solvation: | -4.61119 |
Coulombic: | -37.4158 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 469.383 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.81 |
LogP (Chemaxon): | 6.6 |
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 |
---|