ChemDB: Chemical Search
Download
Chemical ID: 5931863
Chemical ID:
5931863
Name [?]:
2-(3,4-dimethoxyphenyl)-3-(2-methoxyacetyl)-N-(3-methoxypropyl)thiazolidine-4-carboxamide
SMILES [?]:
COCCCNC(=O)C1CSC(N1C(=O)COC)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C19H28N2O6S/c1-24-9-5-8-20-18(23)14-12-28-19(21(14)17(22)11-25-2)13-6-7-15(26-3)16(10-13)27-4/h6-7,10,14,19H,5,8-9,11-12H2,1-4H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,18,28,26,4,20,21,5,3,24,16,10,19,9,22,23,14,7,12,6,13,15,8,2,17,27,25,11/rA:28cCOCCCNCOCCSCNCOCOCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s9s12;s13;d14;s14;s16;s17;s12;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H28N2O6S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.15778 |
Area: | 648.75 |
Solvation: | -11.061 |
Coulombic: | -65.6978 |
Bond Count [?]
All: | 29 |
Single: | 24 |
Double: | 5 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 412.501 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 0.56 |
LogP (Chemaxon): | -0.01 |
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 |
---|