Basic information
- Standard SMILES
N#Cc1ccc(CC(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1- InChIKey
YCFVZADMPOTVGF-UHFFFAOYSA-N- Molecular formula
- C29H25N2O5P
- Average molar mass
- 512.5 g/mol
Names & identifiers
- Preferred name
- Diphenyl 1-(n-benzyloxycarbonylamino)-2-(4-cyanophenyl)ethanephosphonate
- IUPAC
- benzyl N-[2-(4-cyanophenyl)-1-diphenoxyphosphorylethyl]carbamate
Names & synonyms
SCHEMBL12354625YCFVZADMPOTVGF-UHFFFAOYSA-Ndiphenyl 1-(n-benzyloxycarbonylamino)-2-(4-cyanophenyl)ethanephosphonate
Database identifiers
- PubChem CID
- 21849067
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 763
Related reactions
2 records
Compound notes
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