N-benzyl-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
Basic information
- CAS
5919-11-9- Standard SMILES
Cc1ccsc1CN(Cc1ccccc1)C(=O)CN(CC1CCCO1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
KRAXWEJSRHRTSO-UHFFFAOYSA-N- Molecular formula
- C29H29F6N3O3S
- Average molar mass
- 613.6 g/mol
- Monoisotopic mass
- 613.18338194
Names & identifiers
- Preferred name
- N-benzyl-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
- IUPAC
- N-benzyl-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
Names & synonyms
5919-11-9N-benzyl-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamideDTXSID60411158N-Benzyl-N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-N-[(3-methylthiophen-2-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
Database identifiers
- CAS
5919-11-9- PubChem CID
- 5222589
- DTXSID
DTXSID60411158
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 879
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Compound notes
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