Basic information
- Standard SMILES
CC(CO)(COS(C)(=O)=O)NCc1cc2c3ccccc3ccc2c2ccccc12- InChIKey
MXEVUFSATVKQQG-UHFFFAOYSA-N- Molecular formula
- C24H25NO4S
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 423.15042945
Names & identifiers
- Preferred name
- 2-((6-Chrysenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate
- IUPAC
- [2-(chrysen-6-ylmethylamino)-3-hydroxy-2-methylpropyl] methanesulfonate
Names & synonyms
SCHEMBL8673861MXEVUFSATVKQQG-UHFFFAOYSA-N2-((6-Chrysenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate
Database identifiers
- PubChem CID
- 54096087
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 677
Related reactions
28 records
Compound notes
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