931706-15-9
Product Name:
PPQ-102
Formula:
C26H22N4O3
Synonyms:
;CFTR Inhibitor IV, PPQ-102 - CAS 931706-15-9 - Calbiochem
Inquiry
SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. 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 | 438.5 g/mol |
---|---|
XLogP3 | 3.7 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 2 |
Exact Mass | 438.16919058 g/mol |
Monoisotopic Mass | 438.16919058 g/mol |
Topological Polar Surface Area | 70.7 Ų |
Heavy Atom Count | 33 |
Formal Charge | 0 |
Complexity | 786 |
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 |