ChemDB: Chemical Search
Download
Chemical ID: 6293851
Chemical ID:
6293851
Name [?]:
N-(2-bromophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
SMILES [?]:
Cc1cc(nc(n1)SCC(=O)Nc2ccccc2Br)c3ccccc3
InChi [?]:
InChI=1/C19H16BrN3OS/c1-13-11-17(14-7-3-2-4-8-14)23-19(21-13)25-12-18(24)22-16-10-6-5-9-15(16)20/h2-11H,12H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,16,15,21,25,17,14,3,9,2,20,18,13,4,10,6,19,7,12,5,11,8/E:(3,4)(7,8)/rA:25nCCCCNCNSCCONCCCCCCBrCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s4;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16BrN3OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8305 |
Area: | 586.778 |
Solvation: | -2.83895 |
Coulombic: | -33.9682 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 414.32 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.17 |
LogP (Chemaxon): | 4.4 |
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 |
---|