Basic information
- Standard SMILES
COc1cc2c(cc1CN[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1c1ccccc1)-c1nnnn1CCC2- InChIKey
LAXBEHXCTYZPRF-ZCYQVOJMSA-N- Molecular formula
- C28H36N6O3
- Average molar mass
- 504.6 g/mol
Names & identifiers
- Preferred name
- (2S,3S)-1-tert-Butoxycarbonyl-3-[(9-methoxy-6,7-dihydro-5H-[1,2,3,4]tetrazolo[5,1-a][2]benzazepin-10-yl)methyl]amino-2-phenylpiperidine
- IUPAC
- tert-butyl (2S,3S)-3-[(9-methoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepin-10-yl)methylamino]-2-phenylpiperidine-1-carboxylate
Names & synonyms
SCHEMBL8178114LAXBEHXCTYZPRF-ZCYQVOJMSA-N(2S,3S)-1-tert-Butoxycarbonyl-3-[(9-methoxy-6,7-dihydro-5H-[1,2,3,4]tetrazolo[5,1-a][2]benzazepin-10-yl)methyl]amino-2-phenylpiperidine
Database identifiers
- PubChem CID
- 57086038
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 94.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 757
Related reactions
2 records
Compound notes
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