ChemDB: Chemical Search
Download
Chemical ID: 5495139
Chemical ID:
5495139
Name [?]:
2-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-N-(3-methoxyphenyl)-acetamide
SMILES [?]:
CCN=C1N(C(=O)C(S1)CC(=O)Nc2cccc(c2)OC)CC
InChi [?]:
InChI=1/C16H21N3O3S/c1-4-17-16-19(5-2)15(21)13(23-16)10-14(20)18-11-7-6-8-12(9-11)22-3/h6-9,13H,4-5,10H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,23,21,2,22,16,15,17,19,10,14,18,8,11,6,4,3,13,5,12,7,20,9/rA:23cCCNCNCOCSCCONCCCCCCOCCC/rB:s1;s2;w3;s4;s5;d6;s6;s4s8;s8;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s5;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H21N3O3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.6896 |
Area: | 541.963 |
Solvation: | -4.85947 |
Coulombic: | -48.007 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 335.422 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.17 |
LogP (Chemaxon): | 2.2 |
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 |
---|