Basic information
- Standard SMILES
O=C(NC(CO)CO)c1ccc(S(=O)(=O)Cc2c(O[C@H](Cn3ccnc3)c3ccccc3)ccc3c2CCCC3=O)cc1- InChIKey
YBSLTNHOXHTXCB-WJOKGBTCSA-N- Molecular formula
- C32H33N3O7S
- Average molar mass
- 603.7 g/mol
Names & identifiers
- Preferred name
- N-[2-Hydroxy-1-(hydroxymethyl)ethyl]-4-{[(2-{[(1S)-2-(1H-imidazol-1-yl)-1-phenylethyl]oxy}-5-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)methyl]sulfonyl}benzamide
- IUPAC
- N-(1,3-dihydroxypropan-2-yl)-4-[[2-[(1S)-2-imidazol-1-yl-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylsulfonyl]benzamide
Names & synonyms
SCHEMBL6300167YBSLTNHOXHTXCB-WJOKGBTCSA-NN-[2-Hydroxy-1-(hydroxymethyl)ethyl]-4-{[(2-{[(1S)-2-(1H-imidazol-1-yl)-1-phenylethyl]oxy}-5-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)methyl]sulfonyl}benzamide
Database identifiers
- PubChem CID
- 69735388
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
1 records
Compound notes
Loading…