ChemDB: Chemical Search
Download
Chemical ID: 5752239
Chemical ID:
5752239
Name [?]:
2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenyl-acetamide
SMILES [?]:
CCc1c(nc([nH]c1=O)SCC(=O)Nc2ccccc2)C
InChi [?]:
InChI=1/C15H17N3O2S/c1-3-12-10(2)16-15(18-14(12)20)21-9-13(19)17-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,17,19)(H,16,18,20)
InChi Info:
AuxInfo=1/1/N:1,21,2,18,17,19,16,20,11,4,15,3,12,8,6,5,14,7,13,9,10/E:(5,6)(7,8)/rA:21nCCCCNCNCOSCCONCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3s7;d8;s6;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17N3O2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.55463 |
Area: | 509.572 |
Solvation: | -3.18466 |
Coulombic: | -46.7555 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 303.38 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.41 |
LogP (Chemaxon): | 2.6 |
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 |
---|