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Basic information
- Standard SMILES
N#Cc1ccc(C(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1- InChIKey
KKWXQVPBBNYOSS-UHFFFAOYSA-N- Molecular formula
- C28H23N2O5P
- Average molar mass
- 498.5 g/mol
- Monoisotopic mass
- 498.13445884
Names & identifiers
- Preferred name
- Benzyl ((4-cyanophenyl)(diphenoxyphosphoryl)methyl)carbamate
- IUPAC
- benzyl N-[(4-cyanophenyl)-diphenoxyphosphorylmethyl]carbamate
Names & synonyms
SCHEMBL1364914KKWXQVPBBNYOSS-UHFFFAOYSA-Nbenzyl ((4-cyanophenyl)(diphenoxyphosphoryl)methyl)carbamatediphenyl [N-(benzyloxycarbonyl)amino](4-cyanophenyl)methane phosphonate
Database identifiers
- PubChem CID
- 10074623
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 748
Related reactions
2 records
Compound notes
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