4-chloro-6-[3-(2-morpholin-4-yl-ethylamino)-benzylamino]-2H-phthalazin-1-one
Basic information
- Standard SMILES
O=c1[nH]nc(Cl)c2cc(NCc3cccc(NCCN4CCOCC4)c3)ccc12- InChIKey
LNMLUXPTZYRCDJ-UHFFFAOYSA-N- Molecular formula
- C21H24ClN5O2
- Average molar mass
- 413.9 g/mol
Names & identifiers
- Preferred name
- 4-chloro-6-[3-(2-morpholin-4-yl-ethylamino)-benzylamino]-2H-phthalazin-1-one
- IUPAC
- 4-chloro-6-[[3-(2-morpholin-4-ylethylamino)phenyl]methylamino]-2H-phthalazin-1-one
Names & synonyms
SCHEMBL2460125LNMLUXPTZYRCDJ-UHFFFAOYSA-N4-chloro-6-[3-(2-morpholin-4-yl-ethylamino)-benzylamino]-2H-phthalazin-1-one
Database identifiers
- PubChem CID
- 24948151
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 583
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…