1,3,8-Triazaspiro(4.5)decan-4-one, 1-phenyl-8-(3-(phenylthio)propyl)-
Basic information
- CAS
7139-26-6- Standard SMILES
O=C1NCN(c2ccccc2)C12CCN(CCCSc1ccccc1)CC2- InChIKey
BLOQBDJJVIGGNX-UHFFFAOYSA-N- Molecular formula
- C22H27N3OS
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.18748367
Names & identifiers
- Preferred name
- 1,3,8-Triazaspiro(4.5)decan-4-one, 1-phenyl-8-(3-(phenylthio)propyl)-
- IUPAC
- 1-phenyl-8-(3-phenylsulfanylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one
- English name
- 1-Phenyl-8-[3-(phenylthio)propyl]-1,3,8-triazaspiro[4.5]decan-4-one
- Molecular weight
- 0
Names & synonyms
BRN 06304657139-26-61,3,8-Triazaspiro(4.5)decan-4-one, 1-phenyl-8-(3-(phenylthio)propyl)-DTXSID002215761-Phenyl-8-(3-phenylthiopropyl)-1,3,8-triazaspiro(4.5)decan-4-one5-26-04-00106 (Beilstein Handbook Reference)RefChem:217626DTXCID301440671-phenyl-8-[3-(phenylsulfanyl)propyl]-1,3,8-triazaspiro[4.5]decan-4-one1-Phenyl-8-[3-(phenylthio)propyl]-1,3,8-triazaspiro[4.5]decan-4-one
Database identifiers
- CAS
7139-26-6- PubChem CID
- 201933
- DTXSID
DTXSID00221576- Nikkaji
- J85.151E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 480
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Related reactions
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Compound notes
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