Basic information
- Standard SMILES
O[C@H]1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCc1ccc2[nH]ccc2c1- InChIKey
OQKKLDHMNWLVNH-KKUQBAQOSA-N- Molecular formula
- C27H28N2O2
- Average molar mass
- 412.5 g/mol
Names & identifiers
- Preferred name
- (2R,4S,5S)-2-benzhydryl-5-[(1H-indol-5-ylmethyl)-amino]-tetrahydro-pyran-4-ol
- IUPAC
- (2R,4S,5S)-2-benzhydryl-5-(1H-indol-5-ylmethylamino)oxan-4-ol
Names & synonyms
CHEMBL379716SCHEMBL245055OQKKLDHMNWLVNH-KKUQBAQOSA-NBDBM50190610(2R, 4S, 5S)-2-benzhydryl-5-[(1H-indol-5-ylmethyl)-amino]-tetrahydropyran-4-ol(2R,4S,5S)-2-benzhydryl-5-[(1H-indol-5-ylmethyl)-amino]-tetrahydro-pyran-4-ol(2R,4S,5S)-2-benzhydryl-5-[(1H-indol-5-ylmethyl)-amino]-tetrahydropyran-4-ol
Database identifiers
- PubChem CID
- 11618477
- ChEMBL
CHEMBL379716
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 527
Related reactions
5 records
Compound notes
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