ChemDB: Chemical Search
Download
Chemical ID: 6463742
Chemical ID:
6463742
Name [?]:
2-(3-chloro-2-methyl-phenyl)imino-5-[(2-propoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCCOc1ccccc1C=C2C(=O)NC(=Nc3cccc(c3C)Cl)S2
InChi [?]:
InChI=1/C20H19ClN2O2S/c1-3-11-25-17-10-5-4-7-14(17)12-18-19(24)23-20(26-18)22-16-9-6-8-15(21)13(16)2/h4-10,12H,3,11H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,2,8,7,20,9,21,19,6,3,11,23,10,22,18,5,12,13,16,25,17,15,14,4,26/rA:26nCCCOCCCCCCCCCONCNCCCCCCCClS/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s22;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19ClN2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3594 |
Area: | 605.199 |
Solvation: | -2.77054 |
Coulombic: | -38.1656 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 386.896 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.64 |
LogP (Chemaxon): | 5.9 |
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 |
---|