Basic information
- Standard SMILES
O=P(OC1=Nc2ccc(Br)cc2C(c2ccccn2)=NC1)(N1CCOCC1)N1CCOCC1- InChIKey
DLLUIUKEQWYGCI-UHFFFAOYSA-N- Molecular formula
- C22H25BrN5O4P
- Average molar mass
- 534.3 g/mol
- Monoisotopic mass
- 533.08275
Names & identifiers
- Preferred name
- 4-[(7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)oxy-morpholin-4-ylphosphoryl]morpholine
- IUPAC
- 4-[(7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)oxy-morpholin-4-ylphosphoryl]morpholine
Names & synonyms
SCHEMBL7307967
Database identifiers
- PubChem CID
- 13060604
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 765
Related reactions
1 records
Compound notes
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