ChemDB: Chemical Search
Download
Chemical ID: 4839531
Chemical ID:
4839531
Name [?]:
5-[(4-chlorophenyl)methylene]-4-(4-ethoxyphenyl)imino-thiazolidin-2-one
SMILES [?]:
CCOc1ccc(cc1)N=C2C(=Cc3ccc(cc3)Cl)SC(=O)N2
InChi [?]:
InChI=1/C18H15ClN2O2S/c1-2-23-15-9-7-14(8-10-15)20-17-16(24-18(22)21-17)11-12-3-5-13(19)6-4-12/h3-11H,2H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,15,19,16,18,6,8,5,9,13,14,17,7,4,12,11,22,20,10,24,23,3,21/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCOCCCCCCNCCCCCCCCCClSCON/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s12;s21;d22;s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15ClN2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.48041 |
Area: | 499.671 |
Solvation: | -3.01135 |
Coulombic: | -37.4903 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 358.843 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.05 |
LogP (Chemaxon): | 4.96 |
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 |
---|