ChemDB: Chemical Search
Download
Chemical ID: 6003025
Chemical ID:
6003025
Name [?]:
2-[cyclohexyl-(2-phenoxyacetyl)-amino]-N-(4-methylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(C2CCCCC2)C(=O)COc3ccccc3
InChi [?]:
InChI=1/C20H25N3O3S/c1-15-14-27-20(21-15)22-18(24)12-23(16-8-4-2-5-9-16)19(25)13-26-17-10-6-3-7-11-17/h3,6-7,10-11,14,16H,2,4-5,8-9,12-13H2,1H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,15,25,14,16,24,26,13,17,23,27,10,20,3,2,12,22,8,18,5,6,7,11,9,19,21,4/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCCCSCNNCOCNCCCCCCCOCOCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s12s16;s11;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25N3O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58461 |
Area: | 611.118 |
Solvation: | -5.69334 |
Coulombic: | -49.8656 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 387.497 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.94 |
LogP (Chemaxon): | 3.06 |
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 |
---|