AC1LZE5W
3-benzyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: Oprea1_294548|Oprea1_452913|BAS 01312868|3-benzyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one|3-benzyl-2-(isopentylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one|2-(3-methylbutylthio)-3-benzylspiro[3,5,6-trihydrobenzo[h]quinazoline-5,1'-cyc lopentane]-4-one|3-benzyl-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
| Molecular Formula | C28H32N2OS |
|---|---|
| Molecular Weight | 444.22354 g/mol |
| LogP | 6.4647 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.22354 |
| Monoisotopic Mass | 444.22354 |
| Heavy Atoms | 32 |
| Complexity | 1159.795 |
Chemical Identifiers
| CAS Number | 337487-50-0 |
|---|---|
| SMILES | CC(C)CCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52 |
Product Overview
AC1LZE5W (CAS 337487-50-0), with molecular formula C28H32N2OS and molecular weight 444.22354 g/mol. IUPAC: 3-benzyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
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