Basic information
- CAS
36063-97-5- Standard SMILES
c1ccc(C(CCN2CCC3CCCCN3CC2)c2ccccc2)cc1- InChIKey
WCJLKLHEKKVIAF-UHFFFAOYSA-N- Molecular formula
- C24H32N2
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.25654903
Names & identifiers
- Preferred name
- 3-(3,3-Diphenylpropyl)decahydropyrido[1,2-d][1,4]diazepine
- IUPAC
- 3-(3,3-diphenylpropyl)-2,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-d][1,4]diazepine
Names & synonyms
3-(3,3-diphenylpropyl)decahydropyrido[1,2-d][1,4]diazepine36063-97-5BRN 0623813Decahydro-3-(3,3-diphenylpropyl)pyrido(1,2-d)(1,4)diazepinePyrido(1,2-d)(1,4)diazepine, decahydro-3-(3,3-diphenylpropyl)-DTXSID90957473
Database identifiers
- CAS
36063-97-5- PubChem CID
- 215680
- DTXSID
DTXSID90957473
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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