Basic information
- CAS
21720-43-4- Standard SMILES
CN1CCN(CN2C(=O)C(c3ccccc3)(c3ccccc3)NC2=S)CC1- InChIKey
UZCJGDSQAFVBCG-UHFFFAOYSA-N- Molecular formula
- C21H24N4OS
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.16708258
Names & identifiers
- Preferred name
- Hydantoin, 5,5-diphenyl-3-((4-methyl-1-piperazinyl)methyl)-2-thio-
- IUPAC
- 3-[(4-methylpiperazin-1-yl)methyl]-5,5-diphenyl-2-sulfanylideneimidazolidin-4-one
Names & synonyms
BRN 0711263Hydantoin, 5,5-diphenyl-3-((4-methyl-1-piperazinyl)methyl)-2-thio-DTXSID4017611221720-43-45,5-Diphenyl-3-((4-methyl-1-piperazinyl)methyl)-2-thiohydantoin5-24-08-00404 (Beilstein Handbook Reference)RefChem:347945DTXCID80986033-[(4-methylpiperazin-1-yl)methyl]-5,5-diphenyl-2-sulfanylideneimidazolidin-4-one
Database identifiers
- CAS
21720-43-4- PubChem CID
- 3038245
- DTXSID
DTXSID40176112
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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