Basic information
- Standard SMILES
CC(c1ccc(-c2nncs2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O- InChIKey
BLOIJWSSKHAPIR-UHFFFAOYSA-N- Molecular formula
- C24H27N3O3S
- Average molar mass
- 437.6 g/mol
- Monoisotopic mass
- 437.17731291
Names & identifiers
- Preferred name
- 6-(2-Hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(1,3,4-thiadiazol-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one
- IUPAC
- 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(1,3,4-thiadiazol-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 75236476
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 619
Related reactions
1 records
Compound notes
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