Benzyl n-[(benzyloxy)carbonyl]-o-[bis(2-chloropropyl)carbamoyl]serinate
Basic information
- CAS
13723-34-7- Standard SMILES
CC(Cl)CN(CC(C)Cl)C(=O)OCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1- InChIKey
AXCVOQWOFWDOBN-UHFFFAOYSA-N- Molecular formula
- C25H30Cl2N2O6
- Average molar mass
- 525.4 g/mol
- Monoisotopic mass
- 524.1480921
Names & identifiers
- Preferred name
- Benzyl n-[(benzyloxy)carbonyl]-o-[bis(2-chloropropyl)carbamoyl]serinate
- IUPAC
- benzyl 3-[bis(2-chloropropyl)carbamoyloxy]-2-(phenylmethoxycarbonylamino)propanoate
Names & synonyms
13723-34-7benzyl n-[(benzyloxy)carbonyl]-o-[bis(2-chloropropyl)carbamoyl]serinateNSC156283DTXSID90303057NSC-156283
Database identifiers
- CAS
13723-34-7- PubChem CID
- 291292
- DTXSID
DTXSID90303057
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 646
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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