ChemDB: Chemical Search
Download
Chemical ID: 6182649
Chemical ID:
6182649
Name [?]:
N-[(4-ethoxyphenyl)methyleneamino]-4-(4-methoxyphenyl)-3H-thiazol-2-imine
SMILES [?]:
CCOc1ccc(cc1)C=NN=c2[nH]c(cs2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C19H19N3O2S/c1-3-24-17-8-4-14(5-9-17)12-20-22-19-21-18(13-25-19)15-6-10-16(23-2)11-7-15/h4-13H,3H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,2,6,8,19,23,5,9,20,22,10,16,7,18,21,4,15,13,11,14,12,24,3,17/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCOCCCCCCCNNCNCCSCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;w12;s13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3112 |
Area: | 586.137 |
Solvation: | -4.34217 |
Coulombic: | -31.9401 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 353.439 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.06 |
LogP (Chemaxon): | 3.72 |
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 |
---|