Basic information
- CAS
27578-80-9- Standard SMILES
COc1ccc(N2C(=O)C(=O)N(c3ccc(OC)cc3)P2(=O)N(CCCl)CCCl)cc1- InChIKey
UKWPRLLVTSUVJX-UHFFFAOYSA-N- Molecular formula
- C20H22Cl2N3O5P
- Average molar mass
- 486.3 g/mol
- Monoisotopic mass
- 485.0674132
Names & identifiers
- Preferred name
- 2-[Bis(2-chloroethyl)amino]-1,3-bis(4-methoxyphenyl)-2-oxo-1,3,2lambda5-diazaphospholidine-4,5-dione
- IUPAC
- 2-[bis(2-chloroethyl)amino]-1,3-bis(4-methoxyphenyl)-2-oxo-1,3,2λ5-diazaphospholidine-4,5-dione
Names & synonyms
MLS00269517127578-80-9NSC93205CHEMBL2139990DTXSID30293968HMS3087C17NSC-93205SMR0015610832-[Bis(2-chloroethyl)amino]-1,3-bis(4-methoxyphenyl)-1,3,2lambda~5~-diazaphospholidine-2,4,5-trione
Database identifiers
- CAS
27578-80-9- PubChem CID
- 261237
- DTXSID
DTXSID30293968- ChEMBL
CHEMBL2139990
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 632
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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