1,4-Dimorpholino-7-phenylpyrido(3,4-d)pyridazine
Basic information
- CAS
39632-88-7- Standard SMILES
c1ccc(-c2cc3c(N4CCOCC4)nnc(N4CCOCC4)c3cn2)cc1- InChIKey
DWMMTLSFUWGGTM-UHFFFAOYSA-N- Molecular formula
- C21H23N5O2
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.18517499
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- 1,4-Dimorpholino-7-phenylpyrido(3,4-d)pyridazine
- IUPAC
- 4-(1-morpholin-4-yl-7-phenylpyrido[3,4-d]pyridazin-4-yl)morpholine
- English name
- 1,4-dimorpholino-7-phenylpyrido(3,4-d)pyridazine
- Molecular formula
- C21H23N5O2
- Molecular weight
- 377.44
Names & synonyms
39632-88-7DS-5111,4-Dimorpholino-7-phenylpyrido(3,4-d)pyridazine1,4-Di-4-morpholinyl-7-phenylpyrido(3,4-d)pyridazineR0KB07W762NSC-309704DTXSID60192738Pyrido(3,4-d)pyridazine, 1,4-di-4-morpholinyl-7-phenyl-1,4-dimorpholino-7-phenylpyrido[3,4-d]pyridazineRefChem:73318DTXCID001152294,4'-(7-Phenylpyrido[3,4-d]pyridazine-1,4-diyl)dimorpholine
Show more names
1,4-Di(4-morpholinyl)-7-phenylpyrido[3,4-d]pyridazinePyrido[3,4-d]pyridazine, 1,4-di-4-morpholinyl-7-phenyl-
NSC309704NSC 309704UNII-R0KB07W762SCHEMBL10525460SCHEMBL30168494DWMMTLSFUWGGTM-UHFFFAOYSA-N1,4-Bis(morpholin-4-yl)-7-phenylpyrido[3,4-d]pyridazinePYRIDO(3,4-D)PYRIDAZINE, 1,4-DIMORPHOLINO-7-PHENYL-
Database identifiers
- CAS
39632-88-7- PubChem CID
- 100494
- DTXSID
DTXSID60192738- UNII
- R0KB07W762
- Nikkaji
- J22.698J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 491
Physicochemical properties
- Boiling point
- 669.7 · 669.7±55.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- pka
- 6.73 · 6.73±0.30(Predicted)
- FDA UNII
- 0 KB07W762 · R0KB07W762
Related reactions
4 records
Compound notes
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