Basic information
- Standard SMILES
CC[C@@H](NC(=O)N1C(=O)C[C@@H]1CSc1ncccn1)c1ccccc1- InChIKey
BVJPMVBQAJJWKX-HUUCEWRRSA-N- Molecular formula
- C18H20N4O2S
- Average molar mass
- 356.4 g/mol
Names & identifiers
- Preferred name
- (4R)-2-oxo-N-[(1R)-1-phenylpropyl]-4-(pyrimidin-2-ylsulfanylmethyl)azetidine-1-carboxamide
- IUPAC
- (4R)-2-oxo-N-[(1R)-1-phenylpropyl]-4-(pyrimidin-2-ylsulfanylmethyl)azetidine-1-carboxamide
Names & synonyms
BVJPMVBQAJJWKX-HUUCEWRRSA-N(4R)-2-oxo-N-[(1R)-1-phenylpropyl]-4-(pyrimidin-2-ylsulfanylmethyl)azetidine-1-carboxamide(R)-2-Oxo-4-(pyrimidin-2-ylsulfanylmethyl)-azetidine-1-carboxylic acid ((R)-1-phenyl-propyl)-amide2-oxo-4(R)-(pyrimidin-2-ylsulfanylmethyl)azetidine-1-carboxylic acid (1(R)-phenylpropyl)amide
Database identifiers
- PubChem CID
- 479658
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 464
Related reactions
1 records
Compound notes
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