ChemDB: Chemical Search
Download
Chemical ID: 3862316
Chemical ID:
3862316
Name [?]:
N-butyl-N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-4-methyl-benzamide
SMILES [?]:
CCCCN(c1nc(cs1)c2cc(ccc2OC)OC)C(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C23H26N2O3S/c1-5-6-13-25(22(26)17-9-7-16(2)8-10-17)23-24-20(15-29-23)19-14-18(27-3)11-12-21(19)28-4/h7-12,14-15H,5-6,13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,20,18,2,3,25,27,24,28,14,15,4,12,9,26,23,13,11,8,16,21,6,7,5,22,19,17,10/E:(7,8)(9,10)/rA:29nCCCCNCNCCSCCCCCCOCOCCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s16;s17;s13;s19;s5;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.96494 |
Area: | 636.16 |
Solvation: | -5.93907 |
Coulombic: | -37.6908 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 410.53 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.59 |
LogP (Chemaxon): | 5.38 |
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 |
---|