3-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate
Basic information
- CAS
5177-61-7- Standard SMILES
CC1CCN(CCCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCN1C- InChIKey
DXHCKJUCLLXPRL-UHFFFAOYSA-N- Molecular formula
- C24H32N2O3
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.24129289
Names & identifiers
- Preferred name
- 3-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate
- IUPAC
- 3-(4,5-dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate
Names & synonyms
5177-61-7AC1L8FDFDTXSID503299503-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl hydroxydi(phenyl)acetate
Database identifiers
- CAS
5177-61-7- PubChem CID
- 425283
- DTXSID
DTXSID50329950
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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