440124-96-9
Product Name:
Efavirenz Related Compound B (15 mg) ((S,E)-6-Chloro-4-(2-Cyclopropylvinyl)-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one)
Formula:
C14H11ClF3NO2
Synonyms:
(4S)-6-Chloro-4-[(E)-2-cyclopropylvinyl]-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one
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COMPUTED DESCRIPTORS
| Molecular Weight | 317.69 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 317.0430408 g/mol |
| Monoisotopic Mass | 317.0430408 g/mol |
| Topological Polar Surface Area | 38.3 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 464 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |