Basic information
- Standard SMILES
COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2ccc3c(c2)N(CCNS(C)(=O)=O)CCC3)cc1- InChIKey
QYNJAFQKTSKUEP-LDNVYYCDSA-N- Molecular formula
- C35H47N3O6S
- Average molar mass
- 637.8 g/mol
Names & identifiers
- Preferred name
- (3R,4R)-3-[1-(2-methanesulfonylamino-ethyl)-1,2,3,4-tetrahydro-quinolin-7-ylmethoxy]-4-[4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl]-piperidine
- IUPAC
- N-[2-[7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydro-2H-quinolin-1-yl]ethyl]methanesulfonamide
Names & synonyms
SCHEMBL5555202QYNJAFQKTSKUEP-LDNVYYCDSA-N(3R,4R)-3-[1-(2-methanesulfonylamino-ethyl)-1,2,3,4-tetrahydro-quinolin-7-ylmethoxy]-4-[4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl]-piperidine
Database identifiers
- PubChem CID
- 57123770
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 16
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 942
Related reactions
1 records
Compound notes
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