106461-41-0
Product Name:
2,4-DIHYDRO-4-[(4-(4-HYDROXYPHENYL)-1-PIPERAZINYL)PHENYL]-2-(1-METHYLPROPYL)-3H-1,2,4-TRIAZOLE-3-ONE
Formula:
C22H27N5O2
Inquiry
SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 393.5 g/mol |
---|---|
XLogP3 | 3.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 5 |
Exact Mass | 393.21647512 g/mol |
Monoisotopic Mass | 393.21647512 g/mol |
Topological Polar Surface Area | 62.6 Ų |
Heavy Atom Count | 29 |
Formal Charge | 0 |
Complexity | 576 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
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