Basic information
- Standard SMILES
CCCN(c1cc(COCC(C)(N)Cc2ccccc2)cc(C(=O)NC(c2ccccc2)C(F)(F)F)c1)S(C)(=O)=O- InChIKey
MAVFYLQLBOVJEP-UHFFFAOYSA-N- Molecular formula
- C30H36F3N3O4S
- Average molar mass
- 591.7 g/mol
Names & identifiers
- Preferred name
- 3-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-5-[(methylsulfonyl)(propyl)amino]-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
- IUPAC
- 3-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-5-[methylsulfonyl(propyl)amino]-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
Names & synonyms
3-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-5-[(methylsulfonyl)(propyl)amino]-N-(2,2,2-trifluoro-1-phenylethyl)benzamideSCHEMBL2212996
Database identifiers
- PubChem CID
- 11490238
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 917
Related reactions
1 records
Compound notes
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