Basic information
- CAS
5639-96-3- Standard SMILES
Cc1ccc(N2C(=O)C(=Cc3ccc4c(c3)OCO4)N=C2SCC(=O)N2CCC(C)CC2)cc1- InChIKey
HIFFVYRHHZRRRS-UHFFFAOYSA-N- Molecular formula
- C26H27N3O4S
- Average molar mass
- 477.6 g/mol
- Monoisotopic mass
- 477.17222752
Names & identifiers
- Preferred name
- Agn-PC-0kixus
- IUPAC
- 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one
Names & synonyms
5639-96-3AGN-PC-0KIXUSDTXSID70411225AKOS0334560265-[(2H-1,3-Benzodioxol-5-yl)methylidene]-3-(4-methylphenyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-imidazol-4-one
Database identifiers
- CAS
5639-96-3- PubChem CID
- 5223373
- DTXSID
DTXSID70411225
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 830
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…