ChemDB: Chemical Search
Download
Chemical ID: 7142694
Chemical ID:
7142694
Name [?]:
3-butyl-2-butylimino-5-[[5-(2-chlorophenyl)-2-furyl]methylene]thiazolidin-4-one
SMILES [?]:
CCCCN=C1N(C(=O)C(=Cc2ccc(o2)c3ccccc3Cl)S1)CCCC
InChi [?]:
InChI=1/C22H25ClN2O2S/c1-3-5-13-24-22-25(14-6-4-2)21(26)20(28-22)15-16-11-12-19(27-16)17-9-7-8-10-18(17)23/h7-12,15H,3-6,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,27,3,26,19,20,18,21,13,14,4,25,11,12,17,22,15,10,8,6,23,5,7,9,16,24/rA:28nCCCCNCNCOCCCCCCOCCCCCCClSCCCC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s8;w10;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s22;s6s10;s7;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25ClN2O2S |
All Atoms: | 53 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.7348 |
Area: | 647.352 |
Solvation: | -3.44897 |
Coulombic: | -32.1518 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.76 |
LogP (Chemaxon): | None |
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 |
---|