AC1NPVYK
2-[(2-methylphenyl)methylsulfanyl]-3-(2-methylprop-2-enyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: 3-(2-methylallyl)-2-((2-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one|2-[(2-methylbenzyl)sulfanyl]-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one|2-[(2-methylphenyl)methylsulfanyl]-3-(2-methylprop-2-enyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
| Molecular Formula | C28H30N2OS |
|---|---|
| Molecular Weight | 442.2079 g/mol |
| LogP | 6.45502 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.2079 |
| Monoisotopic Mass | 442.2079 |
| Heavy Atoms | 32 |
| Complexity | 1250.5275 |
Chemical Identifiers
| CAS Number | 836632-46-3 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2CC(=C)C)C4(CCCC4)CC5=CC=CC=C53 |
Product Overview
AC1NPVYK (CAS 836632-46-3), with molecular formula C28H30N2OS and molecular weight 442.2079 g/mol. IUPAC: 2-[(2-methylphenyl)methylsulfanyl]-3-(2-methylprop-2-enyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
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