Basic information
- Standard SMILES
N=C(OCC1CCCCO1)N1Cc2ccccc2-c2ccccc2C1- InChIKey
GEBAIHXIAOQYGF-UHFFFAOYSA-N- Molecular formula
- C21H24N2O2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.18377801
Names & identifiers
- Preferred name
- 2-tetrahydro-2H-pyranylmethyl 5,7-dihydro-6H-dibenz[c,e]azepine-6-carboximidate
- IUPAC
- oxan-2-ylmethyl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate
Names & synonyms
SCHEMBL10438962GEBAIHXIAOQYGF-UHFFFAOYSA-N2-tetrahydro-2H-pyranylmethyl 5,7-dihydro-6H-dibenz[c,e]azepine-6-carboximidate
Database identifiers
- PubChem CID
- 70367331
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 431
Related reactions
3 records
Compound notes
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