ChemDB: Chemical Search
Download
Chemical ID: 3860933
Chemical ID:
3860933
Name [?]:
N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-N-(3-methoxypropyl)-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)N(CCCOC)c2nc(cs2)c3cc(ccc3OC)OC
InChi [?]:
InChI=1/C23H26N2O4S/c1-16-8-5-6-9-18(16)22(26)25(12-7-13-27-2)23-24-20(15-30-23)19-14-17(28-3)10-11-21(19)29-4/h5-6,8-11,14-15H,7,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,15,30,28,4,5,12,3,6,24,25,11,13,22,19,2,23,7,21,18,26,8,16,17,10,9,14,29,27,20/rA:30nCCCCCCCCONCCCOCCNCCSCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s14;s10;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s26;s27;s23;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O4S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.76084 |
Area: | 652.764 |
Solvation: | -6.55826 |
Coulombic: | -45.6111 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 426.53 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.41 |
LogP (Chemaxon): | 4.06 |
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 |
---|