Basic information
- CAS
139617-46-2- Standard SMILES
CC(=O)C1=NN(c2ccccc2)C(Cc2ccccc2)(N2CCCCC2)S1- InChIKey
ZGVLCQSILMLAAX-UHFFFAOYSA-N- Molecular formula
- C22H25N3OS
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.1718336
Names & identifiers
- Preferred name
- Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)-
- IUPAC
- 1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)ethanone
Names & synonyms
139617-46-2Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)-1-(4,5-Dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl)ethanoneRefChem:3411491-(5-Benzyl-4-phenyl-5-(piperidin-1-yl)-4,5-dihydro-1,3,4-thiadiazol-2-yl)ethanoneDTXSID70930522AKOS0243679271-[5-Benzyl-4-phenyl-5-(piperidin-1-yl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]ethan-1-oneST510020155-acetyl-3-phenyl-2-benzyl-2-piperidyl-1,3,4-thiadiazoline
Database identifiers
- CAS
139617-46-2- PubChem CID
- 3072002
- DTXSID
DTXSID70930522- Nikkaji
- J1.243.772B
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 548
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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