ChemDB: Chemical Search
Download
Chemical ID: 3856088
Chemical ID:
3856088
Name [?]:
2-(4-chlorophenoxy)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-N-(3-morpholinopropyl)acetamide
SMILES [?]:
COc1ccc(cc1)c2csc(n2)N(CCCN3CCOCC3)C(=O)COc4ccc(cc4)Cl
InChi [?]:
InChI=1/C25H28ClN3O4S/c1-31-21-7-3-19(4-8-21)23-18-34-25(27-23)29(12-2-11-28-13-15-32-16-14-28)24(30)17-33-22-9-5-20(26)6-10-22/h3-10,18H,2,11-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,5,7,30,32,4,8,29,33,17,15,19,23,20,22,26,10,6,31,3,28,9,24,12,34,13,18,14,25,2,21,27,11/E:(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)/rA:34nCOCCCCCCCCSCNNCCCNCCOCCCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;s15;s16;s17;s18;s19;s20;s21;s18s22;s14;d24;s24;s26;s27;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H28ClN3O4S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5102 |
Area: | 756.529 |
Solvation: | -8.40301 |
Coulombic: | -49.4695 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 502.026 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.0 |
LogP (Chemaxon): | 3.94 |
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 |
---|