ChemDB: Chemical Search
Download
Chemical ID: 5908407
Chemical ID:
5908407
Name [?]:
2-[(2-phenylacetyl)-propyl-amino]-N-(4-phenylthiazol-2-yl)-acetamide
SMILES [?]:
CCCN(CC(=O)Nc1nc(cs1)c2ccccc2)C(=O)Cc3ccccc3
InChi [?]:
InChI=1/C22H23N3O2S/c1-2-13-25(21(27)14-17-9-5-3-6-10-17)15-20(26)24-22-23-19(16-28-22)18-11-7-4-8-12-18/h3-12,16H,2,13-15H2,1H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,26,17,25,27,16,18,24,28,15,19,3,22,5,12,23,14,11,6,20,9,10,8,4,7,21,13/E:(5,6)(7,8)(9,10)(11,12)/rA:28nCCCNCCONCNCCSCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s4;d20;s20;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23N3O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6634 |
Area: | 641.238 |
Solvation: | -4.36756 |
Coulombic: | -44.3605 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 393.503 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.74 |
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 |
---|