N-(3-fluorophenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
AlkaPlorer ID: AK182402
Synonym: None
IUPAC Name: N-(3-fluorophenyl)-2-[[9-(4-methylphenyl)-6-oxo-1H-purin-8-yl]sulfanyl]acetamide
Structure
SMILES: CC1=CC=C(N2C(SCC(=O)NC3=CC=CC(F)=C3)=NC3=C2N=CNC3=O)C=C1
InChI: InChI=1S/C20H16FN5O2S/c1-12-5-7-15(8-6-12)26-18-17(19(28)23-11-22-18)25-20(26)29-10-16(27)24-14-4-2-3-13(21)9-14/h2-9,11H,10H2,1H3,(H,24,27)(H,22,23,28)
InChIKey: ORYKUJWQQIAIMG-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 409.44600000000014
TPSA？: 92.67
MolLogP？: 3.2871200000000007
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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