ChemDB: Chemical Search
Download
Chemical ID: 7140347
Chemical ID:
7140347
Name [?]:
5-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-2-(2,4-dimethoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)OC)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)OCc4ccccc4Cl)S2
InChi [?]:
InChI=1/C26H23ClN2O5S/c1-31-18-9-10-20(22(14-18)32-2)28-26-29-25(30)24(35-26)13-16-8-11-21(23(12-16)33-3)34-15-17-6-4-5-7-19(17)27/h4-14H,15H2,1-3H3,(H,28,29,30)
InChi Info:
AuxInfo=1/1/N:1,10,25,30,31,29,32,19,4,5,20,23,17,8,27,18,28,3,33,6,21,7,22,16,14,12,34,11,13,15,2,9,24,26,35/rA:35nCOCCCCCCOCNCNCOCCCCCCCCOCOCCCCCCCClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s27;s28;d29;s30;d31;d28s32;s33;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H23ClN2O5S |
All Atoms: | 58 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4335 |
Area: | 734.238 |
Solvation: | -7.92251 |
Coulombic: | -58.5407 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 2 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 510.99 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.82 |
LogP (Chemaxon): | 5.64 |
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 |
---|