Basic information
- CAS
41504-35-2- Standard SMILES
CN1CCCC1=CC=C1C(=O)N(c2ccccc2)C(=S)N1C- InChIKey
SXGHIMYAMGMPQW-UHFFFAOYSA-N- Molecular formula
- C17H19N3OS
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.12488341
Names & identifiers
- Preferred name
- 1-Methyl-5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
- IUPAC
- 1-methyl-5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
Names & synonyms
DTXSID4011214031-Methyl-5-[2-(1-methyl-2-pyrrolidinylidene)ethylidene]-3-phenyl-2-thioxo-4-imidazolidinone1-methyl-5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one41504-35-2
Database identifiers
- CAS
41504-35-2- PubChem CID
- 3848639
- DTXSID
DTXSID401121403
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 534
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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