3-ethyl-2-[(2-methylprop-2-enyl)thio]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
AlkaPlorer ID: AK512384
Synonym: None
IUPAC Name: 3-ethyl-2-(2-methylprop-2-enylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Structure
SMILES: C=C(C)CSC1=NC2=C(C(=O)N1CC)C1(CCCCC1)CC1=CC=CC=C12
InChI: InChI=1S/C23H28N2OS/c1-4-25-21(26)19-20(24-22(25)27-15-16(2)3)18-11-7-6-10-17(18)14-23(19)12-8-5-9-13-23/h6-7,10-11H,2,4-5,8-9,12-15H2,1,3H3
InChIKey: RKZLIMBJVGPKBA-UHFFFAOYSA-N
Reference
PubChem CID: 1870889
Source
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Properties Information
Molecule Weight: 380.5570000000002
TPSA？: 34.89
MolLogP？: 5.356400000000005
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
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