Basic information
- Standard SMILES
CCCCCCCOc1ccc(CCC(CO)(COP(=O)(Cc2ccccc2)Cc2ccccc2)NC(=O)OCc2ccccc2)cc1C(F)(F)F- InChIKey
KGDRBKWHDXRXPI-UHFFFAOYSA-N- Molecular formula
- C41H49F3NO6P
- Average molar mass
- 739.8 g/mol
Names & identifiers
- Preferred name
- [1-(dibenzyl)phosphoryloxymethyl-1-hydroxymethyl-3-(4-heptyloxy-3-trifluoromethylphenyl)propyl]carbamic Acid Benzyl Ester
- IUPAC
- benzyl N-[1-dibenzylphosphoryloxy-4-[4-heptoxy-3-(trifluoromethyl)phenyl]-2-(hydroxymethyl)butan-2-yl]carbamate
Names & synonyms
[1-(dibenzyl)phosphoryloxymethyl-1-hydroxymethyl-3-(4-heptyloxy-3-trifluoromethylphenyl)propyl]carbamic Acid Benzyl EsterSCHEMBL2463693
Database identifiers
- PubChem CID
- 67417982
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 22
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
1 records
Compound notes
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