ChemDB: Chemical Search
Download
Chemical ID: 6909893
Chemical ID:
6909893
Name [?]:
N-[4-(4-isopropoxyphenyl)thiazol-2-yl]-2-methoxy-benzamide
SMILES [?]:
CC(C)Oc1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3OC
InChi [?]:
InChI=1/C20H20N2O3S/c1-13(2)25-15-10-8-14(9-11-15)17-12-26-20(21-17)22-19(23)16-6-4-5-7-18(16)24-3/h4-13H,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,26,21,22,20,23,7,9,6,10,12,2,8,5,19,11,24,17,14,15,16,18,25,4,13/E:(1,2)(8,9)(10,11)/rA:26nCCCOCCCCCCCCSCNNCOCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3S |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.30055 |
Area: | 587.678 |
Solvation: | -5.39141 |
Coulombic: | -42.1169 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.54 |
LogP (Chemaxon): | 4.7 |
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 |
---|