tert-butyl N-[1-(3-phenylquinolin-2-yl)sulfanylpropan-2-yl]carbamate
Basic information
- Standard SMILES
CC(CSc1nc2ccccc2cc1-c1ccccc1)NC(=O)OC(C)(C)C- InChIKey
WDCSZQNLQCIBGA-UHFFFAOYSA-N- Molecular formula
- C23H26N2O2S
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.17149925
Names & identifiers
- Preferred name
- tert-butyl N-[1-(3-phenylquinolin-2-yl)sulfanylpropan-2-yl]carbamate
- IUPAC
- tert-butyl N-[1-(3-phenylquinolin-2-yl)sulfanylpropan-2-yl]carbamate
Names & synonyms
SCHEMBL10973450
Database identifiers
- PubChem CID
- 13200312
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 501
Related reactions
1 records
Compound notes
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