(I(2)R)-N-[(4R)-3,4-Dihydro-7-(hydroxymethyl)-2H-1-benzopyran-4-yl]-I(2)-[(2-naphthalenylsulfonyl)amino]benzenepropanamide
Basic information
- CAS
925456-56-0- Standard SMILES
O=C(C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCOc2cc(CO)ccc21- InChIKey
WXXFOOKYBIZMIY-SVBPBHIXSA-N- Molecular formula
- C29H28N2O5S
- Average molar mass
- 516.6 g/mol
- Monoisotopic mass
- 516.17189317
Names & identifiers
- Preferred name
- (I(2)R)-N-[(4R)-3,4-Dihydro-7-(hydroxymethyl)-2H-1-benzopyran-4-yl]-I(2)-[(2-naphthalenylsulfonyl)amino]benzenepropanamide
- IUPAC
- (3S)-N-[(4S)-7-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
Names & synonyms
DTXSID201106312(I(2)R)-N-[(4R)-3,4-Dihydro-7-(hydroxymethyl)-2H-1-benzopyran-4-yl]-I(2)-[(2-naphthalenylsulfonyl)amino]benzenepropanamide925456-56-0
Database identifiers
- CAS
925456-56-0- PubChem CID
- 165367199
- DTXSID
DTXSID201106312
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 855
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Compound notes
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