338399-23-8
Product Name:
3-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]METHYL)-1-(3-METHOXYPROPYL)-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE
Formula:
C16H14ClF3N4O3
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 402.75 g/mol |
---|---|
XLogP3 | 1.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 6 |
Exact Mass | 402.0706525 g/mol |
Monoisotopic Mass | 402.0706525 g/mol |
Topological Polar Surface Area | 86.5 Ų |
Heavy Atom Count | 27 |
Formal Charge | 0 |
Complexity | 661 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |