ChemDB: Chemical Search
Download
Chemical ID: 7140132
Chemical ID:
7140132
Name [?]:
2-(4-butylphenyl)imino-5-[(2,4-dimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCCCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3OC)OC)S2
InChi [?]:
InChI=1/C22H24N2O3S/c1-4-5-6-15-7-10-17(11-8-15)23-22-24-21(25)20(28-22)13-16-9-12-18(26-2)14-19(16)27-3/h7-14H,4-6H2,1-3H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,25,2,3,4,6,10,19,7,9,20,17,22,5,18,8,21,23,16,14,12,11,13,15,26,24,28/E:(7,8)(10,11)/rA:28nCCCCCCCCCCNCNCOCCCCCCCCOCOCS/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;s24;s21;s26;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O3S |
All Atoms: | 52 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8183 |
Area: | 638.383 |
Solvation: | -4.14132 |
Coulombic: | -44.515 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 2 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 396.504 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.96 |
LogP (Chemaxon): | 5.5 |
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 |
---|