1'-Isopropyl-2-(4-methoxyphenyl)-1,10B-dihydrospiro[benzo[E]pyrazolo[1,5-C][1,3]oxazine-5,4'-piperidine]
Basic information
- CAS
488110-96-9- Standard SMILES
COc1ccc(C2=NN3C(C2)c2ccccc2OC32CCN(C(C)C)CC2)cc1- InChIKey
CLEXUAUMGOONAO-UHFFFAOYSA-N- Molecular formula
- C24H29N3O2
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.22597718
Names & identifiers
- Preferred name
- 1'-Isopropyl-2-(4-methoxyphenyl)-1,10B-dihydrospiro[benzo[E]pyrazolo[1,5-C][1,3]oxazine-5,4'-piperidine]
- IUPAC
- 2-(4-methoxyphenyl)-1'-propan-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
- English name
- 2-(4-methoxyphenyl)-1'-propan-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
- Molecular formula
- C24H29N3O2
- Molecular weight
- 391.51
Names & synonyms
1'-ISOPROPYL-2-(4-METHOXYPHENYL)-1,10B-DIHYDROSPIRO[BENZO[E]PYRAZOLO[1,5-C][1,3]OXAZINE-5,4'-PIPERIDINE]STK993413AKOS0056579362'-(4-methoxyphenyl)-1-(propan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]2-(4-methoxyphenyl)-1'-propan-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]Spiro[piperidine-4,5'-[5H]pyrazolo[1,5-c][1,3]benzoxazine], 1',10'b-dihydro-2'-(4-methoxyphenyl)-1-(1-methylethyl)-
Database identifiers
- CAS
488110-96-9- PubChem CID
- 4463476
- EC Number
- 133-842-3
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 605
Physicochemical properties
- Boiling point
- 523.9 · 523.9±60.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 9.47 · 9.47±0.40(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…