2-[(2-chlorobenzyl)thio]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
AlkaPlorer ID: AK435942
Synonym: None
IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
Structure
SMILES: O=C1NC(SCC2=CC=CC=C2Cl)=NC2=C1C1(CCCC1)CC1=CC=CC=C12
InChI: InChI=1S/C23H21ClN2OS/c24-18-10-4-2-8-16(18)14-28-22-25-20-17-9-3-1-7-15(17)13-23(11-5-6-12-23)19(20)21(27)26-22/h1-4,7-10H,5-6,11-14H2,(H,25,26,27)
InChIKey: KPCLWNUOFRLFHT-UHFFFAOYSA-N
Reference
DrugBank 3.0: a comprehensive resource for 'Omics' research on drugs
PubChem CID: 135823726
Source
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Properties Information
Molecule Weight: 408.9540000000003
TPSA？: 45.75
MolLogP？: 5.750500000000005
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
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