Basic information
- Standard SMILES
CCCCCCCCOC(=O)N(C)CCCN1c2ccccc2CCc2ccccc21- InChIKey
AMHGRXJIPDILAD-UHFFFAOYSA-N- Molecular formula
- C27H38N2O2
- Average molar mass
- 422.6 g/mol
- Monoisotopic mass
- 422.29332846
Names & identifiers
- Preferred name
- [3-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-propyl]-methyl-carbamic acid octyl ester
- IUPAC
- octyl N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylcarbamate
Names & synonyms
SCHEMBL220778AMHGRXJIPDILAD-UHFFFAOYSA-N[3-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-propyl]-methyl-carbamic acid octyl ester
Database identifiers
- PubChem CID
- 58600259
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 487
Related reactions
1 records
Compound notes
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