1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-(10H-phenothiazin-10-yl)-2-propanol
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Basic information
- CAS
345244-90-8- Standard SMILES
Cc1nn(CC(O)CN2c3ccccc3Sc3ccccc32)c(C)c1Br- InChIKey
GPGOSCYGHUNOLB-UHFFFAOYSA-N- Molecular formula
- C20H20BrN3OS
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 429.05105
Names & identifiers
- Preferred name
- 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-(10H-phenothiazin-10-yl)-2-propanol
- IUPAC
- 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-phenothiazin-10-ylpropan-2-ol
- English name
- 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-(10H-phenothiazin-10-yl)-2-propanol
- Molecular formula
- C20H20BrN3OS
- Molecular weight
- 430.36
Names & synonyms
MLS0005336411-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-(10H-phenothiazin-10-yl)-2-propanolSMR0001410841-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-phenothiazin-10-ylpropan-2-ol1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-(10H-phenothiazin-10-yl)propan-2-ol1-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-3-phenothiazin-10-yl-propan-2-olOprea1_853147MLS002540564CHEMBL1371940BDBM57127cid_2897119HMS1612M07
Show more names
10H-Phenothiazine-10-ethanol, α-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-
HMS2301O03STK927075AKOS001656589AKOS016325435CCG-109669ST50505889AF-399/15128079SR-01000439353
Database identifiers
- CAS
345244-90-8- PubChem CID
- 2897119
- ChEMBL
CHEMBL1371940
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 462
Physicochemical properties
- Boiling point
- 590.6 · 590.6±50.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 13.59 · 13.59±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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