Basic information
- Standard SMILES
Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CCN(C(=O)c3ccc(Cl)cc3)CC1)O2- InChIKey
GYHPTKOJAFNUQH-UHFFFAOYSA-N- Molecular formula
- C24H30ClN3O2
- Average molar mass
- 428 g/mol
- Monoisotopic mass
- 427.2026549
Names & identifiers
- Preferred name
- 2-[[4-(4-Chlorobenzoyl)-1-piperazinyl]methyl]-2,3-dihydro-2,4,6,7-tetramethyl-5-benzofuranamine
- IUPAC
- [4-[(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]piperazin-1-yl]-(4-chlorophenyl)methanone
Names & synonyms
SCHEMBL6984884GYHPTKOJAFNUQH-UHFFFAOYSA-N2-[[4-(4-Chlorobenzoyl)-1-piperazinyl]methyl]-2,3-dihydro-2,4,6,7-tetramethyl-5-benzofuranamine
Database identifiers
- PubChem CID
- 22110962
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 618
Related reactions
2 records
Compound notes
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