ChemDB: Chemical Search
Download
Chemical ID: 5721174
Chemical ID:
5721174
Name [?]:
N-ethyl-N-(4-methylbenzothiazol-2-yl)-3-phenoxy-benzamide
SMILES [?]:
CCN(c1nc2c(cccc2s1)C)C(=O)c3cccc(c3)Oc4ccccc4
InChi [?]:
InChI=1/C23H20N2O2S/c1-3-25(23-24-21-16(2)9-7-14-20(21)28-23)22(26)17-10-8-13-19(15-17)27-18-11-5-4-6-12-18/h4-15H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,26,25,27,9,18,8,17,24,28,19,10,21,7,16,23,20,11,6,14,4,5,3,15,22,12/E:(5,6)(11,12)/rA:28nCCNCNCCCCCCSCCOCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s4s11;s7;s3;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20N2O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3838 |
Area: | 584.25 |
Solvation: | -3.22246 |
Coulombic: | -33.6149 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 388.483 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.17 |
LogP (Chemaxon): | 6.15 |
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 |
---|