ChemDB: Chemical Search
Download
Chemical ID: 6261048
Chemical ID:
6261048
Name [?]:
N-[4-(2,4-dimethoxyphenyl)thiazol-2-yl]-2-iodo-benzamide
SMILES [?]:
COc1ccc(c(c1)OC)c2csc(n2)NC(=O)c3ccccc3I
InChi [?]:
InChI=1/C18H15IN2O3S/c1-23-11-7-8-13(16(9-11)24-2)15-10-25-18(20-15)21-17(22)12-5-3-4-6-14(12)19/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,21,22,20,23,4,5,8,12,3,19,6,24,11,7,17,14,25,15,16,18,2,9,13/rA:25nCOCCCCCCOCCCSCNNCOCCCCCCI/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15IN2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19019 |
Area: | 577.671 |
Solvation: | -5.25158 |
Coulombic: | -41.1228 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 466.294 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.73 |
LogP (Chemaxon): | 4.93 |
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 |
---|