Basic information
- CAS
248274-33-1- Standard SMILES
O=C(Nc1ccccn1)NC(c1ccccc1Cl)P(=O)(Oc1ccccc1)Oc1ccccc1- InChIKey
SVXYPIJTBIBYDI-UHFFFAOYSA-N- Molecular formula
- C25H21ClN3O4P
- Average molar mass
- 493.9 g/mol
- Monoisotopic mass
- 493.0958209
Names & identifiers
- Preferred name
- 1-[(2-Chlorophenyl)-diphenoxyphosphorylmethyl]-3-pyridin-2-ylurea
- IUPAC
- 1-[(2-chlorophenyl)-diphenoxyphosphorylmethyl]-3-pyridin-2-ylurea
Names & synonyms
1-[(2-chlorophenyl)-diphenoxyphosphorylmethyl]-3-pyridin-2-ylureaDTXSID101119095HTS12424Phosphonic acid, [(2-chlorophenyl)[[(2-pyridinylamino)carbonyl]amino]methyl]-, diphenyl ester248274-33-1Diphenyl [(2-chlorophenyl){[(pyridin-2-yl)carbamoyl]amino}methyl]phosphonate
Database identifiers
- CAS
248274-33-1- PubChem CID
- 5000419
- DTXSID
DTXSID101119095
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 663
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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