4-(9-CL-5-ME-5-PR-1,10B-Dihydropyrazolo(1,5-C)(1,3)benzoxazin-2-YL)PH ME ether
Basic information
- CAS
868256-95-5- Standard SMILES
CCCC1(C)Oc2ccc(Cl)cc2C2CC(c3ccc(OC)cc3)=NN21- InChIKey
BKDGODYPOAQQBG-UHFFFAOYSA-N- Molecular formula
- C21H23ClN2O2
- Average molar mass
- 370.9 g/mol
- Monoisotopic mass
- 370.1448057
Names & identifiers
- Preferred name
- 4-(9-CL-5-ME-5-PR-1,10B-Dihydropyrazolo(1,5-C)(1,3)benzoxazin-2-YL)PH ME ether
- IUPAC
- 9-chloro-2-(4-methoxyphenyl)-5-methyl-5-propyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
- English name
- 4-(9-Cl-5-Me-5-Pr-1,10b-dihydropyrazolo(1,5-c)(1,3)benzoxazin-2-yl)Ph Me ether
- Molecular formula
- C21H23ClN2O2
- Molecular weight
- 370.87
Names & synonyms
AKOS0244127644-(9-CL-5-ME-5-PR-1,10B-DIHYDROPYRAZOLO(1,5-C)(1,3)BENZOXAZIN-2-YL)PH ME ETHER5H-Pyrazolo[1,5-c][1,3]benzoxazine, 9-chloro-1,10b-dihydro-2-(4-methoxyphenyl)-5-methyl-5-propyl-
Database identifiers
- CAS
868256-95-5- PubChem CID
- 3796166
- EC Number
- 134-209-4
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 534
Physicochemical properties
- Boiling point
- 479.287 · 479.287±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.248 · 1.248±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.526 · 4.526±0.40(predicted)
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Compound notes
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