831217-43-7
Product Name:
1(2H)-PyriMidinehexanoic acid, 4-[1,1'-biphenyl]-4-yl-3,4-dihydro-6-Methyl-2-oxo-5-[(phenylMethoxy)carbonyl]-
Formula:
C31H32N2O5
Synonyms:
116-9e;4-[1,1′-Biphenyl]-4-yl-3,4-dihydro-6-methyl-2-oxo-5-[(phenylmethoxy)carbonyl]-1(2H)-pyrimidinehexanoic acid
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SAFETY INFORMATION
Signal word | Danger |
---|---|
Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 Environment GHS09 |
GHS Hazard Statements |
H301:Acute toxicity,oral H410:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P273:Avoid release to the environment. |
COMPUTED DESCRIPTORS
Molecular Weight | 512.6 g/mol |
---|---|
XLogP3 | 4.9 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 12 |
Exact Mass | 512.23112213 g/mol |
Monoisotopic Mass | 512.23112213 g/mol |
Topological Polar Surface Area | 95.9 Ų |
Heavy Atom Count | 38 |
Formal Charge | 0 |
Complexity | 835 |
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 |