ChemDB: Chemical Search
Download
Chemical ID: 7141169
Chemical ID:
7141169
Name [?]:
2-(2,4-dimethoxyphenyl)imino-5-[(4-dimethylaminophenyl)methylene]thiazolidin-4-one
SMILES [?]:
CN(C)c1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3OC)OC)S2
InChi [?]:
InChI=1/C20H21N3O3S/c1-23(2)14-7-5-13(6-8-14)11-18-19(24)22-20(27-18)21-16-10-9-15(25-3)12-17(16)26-4/h5-12H,1-4H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,26,24,6,8,5,9,19,18,10,21,7,4,20,17,22,11,12,15,16,14,2,13,25,23,27/E:(1,2)(5,6)(7,8)/rA:27nCNCCCCCCCCCCONCNCCCCCCOCOCS/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;s20;s25;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3O3S |
All Atoms: | 48 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91086 |
Area: | 603.386 |
Solvation: | -5.1738 |
Coulombic: | -48.7016 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 383.465 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.13 |
LogP (Chemaxon): | 4.11 |
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 |
---|