1-(Morpholin-4-yl)-3-(5,6,7-trimethoxy-1-oxophthalazin-2(1H)-yl)propan-2-yl 3,4,5-triethoxybenzoate--hydrogen chloride (1/1)
Basic information
- CAS
38952-88-4- Standard SMILES
CCOc1cc(C(=O)OC(CN2CCOCC2)Cn2ncc3c(OC)c(OC)c(OC)cc3c2=O)cc(OCC)c1OCC.Cl- InChIKey
PQIFWRMLJXIHTB-UHFFFAOYSA-N- Molecular formula
- C31H42ClN3O10
- Average molar mass
- 652.1 g/mol
- Monoisotopic mass
- 651.2558722
Names & identifiers
- Preferred name
- 1-(Morpholin-4-yl)-3-(5,6,7-trimethoxy-1-oxophthalazin-2(1H)-yl)propan-2-yl 3,4,5-triethoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- [1-morpholin-4-yl-3-(5,6,7-trimethoxy-1-oxophthalazin-2-yl)propan-2-yl] 3,4,5-triethoxybenzoate;hydrochloride
- English name
- 2-(gamma-Morpholino-beta-(3,4,5-triethoxybenzoxy)propyl)-5,6,7-trimeth oxy-1(2H)-phthalazinone
- Molecular formula
- C31H42ClN3O10
- Molecular weight
- 0
Names & synonyms
38952-88-4DTXSID309597991-(Morpholin-4-yl)-3-(5,6,7-trimethoxy-1-oxophthalazin-2(1H)-yl)propan-2-yl 3,4,5-triethoxybenzoate--hydrogen chloride (1/1)RefChem:1054715DTXCID5013876722-(gamma-Morpholino-beta-(3,4,5-triethoxybenzoxy)propyl)-5,6,7-trimethoxy-1(2H)-phthalazinoneBenzoic acid, 3,4,5-triethoxy-, 1-(4-morpholinylmethyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride2-(gamma-Morpholino-beta-(3,4,5-triethoxybenzoxy)propyl)-5,6,7-trimeth oxy-1(2H)-phthalazinone[1-morpholin-4-yl-3-(5,6,7-trimethoxy-1-oxophthalazin-2-yl)propan-2-yl] 3,4,5-triethoxybenzoate
Database identifiers
- CAS
38952-88-4- PubChem CID
- 217602
- DTXSID
DTXSID30959799
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 16
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 918
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Compound notes
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