2-benzylsulfanyl-3-(2-methylprop-2-enyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
AlkaPlorer ID: AK343756
Synonym: None
IUPAC Name: 2-benzylsulfanyl-3-(2-methylprop-2-enyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Structure
SMILES: C=C(C)CN1C(SCC2=CC=CC=C2)=NC2=C(C1=O)C1(CCCC1)CC1=CC=CC=C12
InChI: InChI=1S/C27H28N2OS/c1-19(2)17-29-25(30)23-24(28-26(29)31-18-20-10-4-3-5-11-20)22-13-7-6-12-21(22)16-27(23)14-8-9-15-27/h3-7,10-13H,1,8-9,14-18H2,2H3
InChIKey: BJPLPZMWITYWRJ-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 428.60100000000034
TPSA？: 34.89
MolLogP？: 6.146600000000006
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
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