ChemDB: Chemical Search
Download
Chemical ID: 3862263
Chemical ID:
3862263
Name [?]:
2-(4-chlorophenoxy)-N-(3-dimethylaminopropyl)-N-(4-phenylthiazol-2-yl)-acetamide
SMILES [?]:
CN(C)CCCN(c1nc(cs1)c2ccccc2)C(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H24ClN3O2S/c1-25(2)13-6-14-26(21(27)15-28-19-11-9-18(23)10-12-19)22-24-20(16-29-22)17-7-4-3-5-8-17/h3-5,7-12,16H,6,13-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,15,17,5,14,18,25,27,24,28,4,6,21,11,13,26,23,10,19,8,29,9,2,7,20,22,12/E:(1,2)(4,5)(7,8)(9,10)(11,12)/rA:29nCNCCCCNCNCCSCCCCCCCOCOCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s7;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24ClN3O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2166 |
Area: | 673.018 |
Solvation: | -5.60888 |
Coulombic: | -35.644 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 429.964 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.49 |
LogP (Chemaxon): | 4.54 |
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 |
---|