propan-2-yl N-(3-oxo-1,2,4,5-tetrahydro-2,4,3lambda5-benzodiazaphosphepin-3-yl)carbamate
Basic information
- CAS
76990-28-8- Standard SMILES
CC(C)OC(=O)NP1(=O)NCc2ccccc2CN1- InChIKey
FXCWRRIVPGQXQM-UHFFFAOYSA-N- Molecular formula
- C12H18N3O3P
- Average molar mass
- 283.26 g/mol
- Monoisotopic mass
- 283.10857844
Names & identifiers
- Preferred name
- propan-2-yl N-(3-oxo-1,2,4,5-tetrahydro-2,4,3lambda5-benzodiazaphosphepin-3-yl)carbamate
- IUPAC
- propan-2-yl N-(3-oxo-1,2,4,5-tetrahydro-2,4,3λ5-benzodiazaphosphepin-3-yl)carbamate
Names & synonyms
NSC34791676990-28-8DTXSID90319592NSC-347916Propan-2-yl (3-oxo-2,3,4,5-tetrahydro-1H-2,4,3lambda~5~-benzodiazaphosphepin-3-yl)carbamate
Database identifiers
- CAS
76990-28-8- PubChem CID
- 335891
- DTXSID
DTXSID90319592
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 355
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Compound notes
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