N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-9-phenyl-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
AlkaPlorer ID: AK184246
Synonym: None
IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]acetamide
Structure
SMILES: O=C(CSC1=NC2=C(N=CNC2=O)N1C1=CC=CC=C1)NC1=CC=C(F)C(Cl)=C1
InChI: InChI=1S/C19H13ClFN5O2S/c20-13-8-11(6-7-14(13)21)24-15(27)9-29-19-25-16-17(22-10-23-18(16)28)26(19)12-4-2-1-3-5-12/h1-8,10H,9H2,(H,24,27)(H,22,23,28)
InChIKey: PGQVNCKYLKPWIS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 429.864
TPSA？: 92.67000000000002
MolLogP？: 3.632100000000001
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|