209414-26-6
Product Name:
(4S)-6-Chloro-4-(cyclopropylethynyl)-1,4-dihydro-2-(4-methoxyphenyl)-4-(trifluoromethyl)-2H-3,1-benzoxazine_x000b_(Mixture of 2 Diastereomers)
Formula:
C21H17ClF3NO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 407.8 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 407.0899910 g/mol |
| Monoisotopic Mass | 407.0899910 g/mol |
| Topological Polar Surface Area | 30.5 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 633 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |