[8-(6-Chloro-3-pyridazinyl)-1-oxa-4,8-diazaspiro[4.5]dec-4-yl](4-methoxyphenyl)methanone
Basic information
- CAS
339011-62-0- Standard SMILES
COc1ccc(C(=O)N2CCOC23CCN(c2ccc(Cl)nn2)CC3)cc1- InChIKey
ZXBUBFWRMJGGQJ-UHFFFAOYSA-N- Molecular formula
- C19H21ClN4O3
- Average molar mass
- 388.8 g/mol
- Monoisotopic mass
- 388.1302182
Names & identifiers
- Preferred name
- [8-(6-Chloro-3-pyridazinyl)-1-oxa-4,8-diazaspiro[4.5]dec-4-yl](4-methoxyphenyl)methanone
- IUPAC
- [8-(6-chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone
- English name
- [8-(6-CHLORO-3-PYRIDAZINYL)-1-OXA-4,8-DIAZASPIRO[4.5]DEC-4-YL](4-METHOXYPHENYL)METHANONE
- Molecular formula
- C19H21ClN4O3
- Molecular weight
- 388.85
Names & synonyms
339011-62-0[8-(6-chloro-3-pyridazinyl)-1-oxa-4,8-diazaspiro[4.5]dec-4-yl](4-methoxyphenyl)methanone[8-(6-chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone(8-(6-Chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]Decan-4-yl)(4-methoxyphenyl)methanone[8-(6-Chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl](4-methoxyphenyl)methanoneBionet1_001718Oprea1_614385HMS573B20DTXSID301123470AKOS0050976457G-9098-(6-chloropyridazin-3-yl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane
Show more names
Methanone, [8-(6-chloro-3-pyridazinyl)-1-oxa-4,8-diazaspiro[4.5]dec-4-yl](4-methoxyphenyl)-
Database identifiers
- CAS
339011-62-0
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 521
Physicochemical properties
- Boiling point
- 657.1 · 657.1±55.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 3.54 · 3.54±0.10(Predicted)
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Compound notes
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