ChemDB: Chemical Search
Download
Chemical ID: 6602714
Chemical ID:
6602714
Name [?]:
N-(4-acetamidophenyl)-2-(4-hydroxy-6-methyl-pyrimidin-2-yl)sulfanyl-acetamide
SMILES [?]:
Cc1cc(nc(n1)SCC(=O)Nc2ccc(cc2)NC(=O)C)O
InChi [?]:
InChI=1/C15H16N4O3S/c1-9-7-13(21)19-15(16-9)23-8-14(22)18-12-5-3-11(4-6-12)17-10(2)20/h3-7H,8H2,1-2H3,(H,17,20)(H,18,22)(H,16,19,21)
InChi Info:
AuxInfo=1/1/N:1,22,15,17,14,18,3,9,2,20,16,13,4,10,6,7,19,12,5,21,23,11,8/E:(3,4)(5,6)/rA:23nCCCCNCNSCCONCCCCCCNCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N4O3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.68941 |
Area: | 549.139 |
Solvation: | -5.03906 |
Coulombic: | -65.227 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 332.379 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 0.08 |
LogP (Chemaxon): | 1.92 |
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 |
---|