3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-(propan-2-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Basic information
- CAS
5920-04-7- Standard SMILES
CC(C)Sc1nc2c(c(=O)n1C1CCOC(C)(C)C1)C1(CCCC1)Cc1ccccc1-2- InChIKey
SKZXANICXONOEJ-UHFFFAOYSA-N- Molecular formula
- C26H34N2O2S
- Average molar mass
- 438.6 g/mol
- Monoisotopic mass
- 438.23409951
Names & identifiers
- Preferred name
- 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-(propan-2-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
- IUPAC
- 3-(2,2-dimethyloxan-4-yl)-2-propan-2-ylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Names & synonyms
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-(propan-2-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one5920-04-73-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-(isopropylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-oneAC1MECSEOprea1_116001Oprea1_877250DTXSID90386906STK050601AKOS000546765AKOS0220787413-(2,2-dimethyloxan-4-yl)-2-propan-2-ylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-oneST50251290
Show more names
3-(2,2-dimethyl(2H-3,4,5,6-tetrahydropyran-4-yl))-2-(methylethylthio)spiro[3,5 ,6-trihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one3-(2,2-Dimethyloxan-4-yl)-2-[(propan-2-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Database identifiers
- CAS
5920-04-7- PubChem CID
- 2876372
- DTXSID
DTXSID90386906
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 793
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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