Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC(COC(N)=O)COc1noc2ccc(Cl)cc12- InChIKey
DYEXZVZDNDPABE-UHFFFAOYSA-N- Molecular formula
- C16H20ClN3O6
- Average molar mass
- 385.8 g/mol
Names & identifiers
- Preferred name
- 3-(3-Carbamoyloxy-2-tert-butoxycarbonylaminopropoxy)-5-chloro-1,2-benzoisoxazole
- IUPAC
- tert-butyl N-[1-carbamoyloxy-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propan-2-yl]carbamate
Names & synonyms
SCHEMBL8945081DYEXZVZDNDPABE-UHFFFAOYSA-N3-(3-carbamoyloxy-2-tert-butoxycarbonylaminopropoxy)-5-chloro-1,2-benzoisoxazole
Database identifiers
- PubChem CID
- 23368564
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 501
Related reactions
3 records
Compound notes
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