Pyrido(1,2-a)(1,4)diazepine, decahydro-2-(2,2-diphenylethyl)-
Basic information
- CAS
40498-89-3- Standard SMILES
c1ccc(C(CN2CCCN3CCCCC3C2)c2ccccc2)cc1- InChIKey
DXKAJQPOWLPUKL-UHFFFAOYSA-N- Molecular formula
- C23H30N2
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.24089897
Names & identifiers
- Preferred name
- Pyrido(1,2-a)(1,4)diazepine, decahydro-2-(2,2-diphenylethyl)-
- IUPAC
- 2-(2,2-diphenylethyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
Names & synonyms
40498-89-3Decahydro-2-(2,2-diphenylethyl)pyrido(1,2-a)(1,4)diazepinePyrido(1,2-a)(1,4)diazepine, decahydro-2-(2,2-diphenylethyl)-RefChem:3772742-(2,2-diphenylethyl)decahydropyrido[1,2-a][1,4]diazepineDTXSID20960894
Database identifiers
- CAS
40498-89-3- PubChem CID
- 218339
- DTXSID
DTXSID20960894
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
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Related reactions
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Compound notes
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