Pyrido(1,2-d)(1,4)diazepine, decahydro-3-(2,2-diphenylethyl)-
Basic information
- CAS
40498-88-2- Standard SMILES
c1ccc(C(CN2CCC3CCCCN3CC2)c2ccccc2)cc1- InChIKey
QNQJCPVHNZVYDS-UHFFFAOYSA-N- Molecular formula
- C23H30N2
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.24089897
Names & identifiers
- Preferred name
- Pyrido(1,2-d)(1,4)diazepine, decahydro-3-(2,2-diphenylethyl)-
- IUPAC
- 3-(2,2-diphenylethyl)-2,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-d][1,4]diazepine
Names & synonyms
40498-88-2Decahydro-3-(2,2-diphenylethyl)pyrido(1,2-d)(1,4)diazepinePyrido(1,2-d)(1,4)diazepine, decahydro-3-(2,2-diphenylethyl)-RefChem:3772863-(2,2-diphenylethyl)decahydropyrido[1,2-d][1,4]diazepineDTXSID60960893
Database identifiers
- CAS
40498-88-2- PubChem CID
- 218338
- DTXSID
DTXSID60960893
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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