1463485-01-9
Product Name:
tert-butyl(4aR,7aR)-2-benzamido-7a-(isothiazol-5-yl)-4a,5,7,7a-tetrahydropyrrolo[3,4-d][1,3]thiazine-6(4H)-carboxylate
Formula:
C21H24N4O3S2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 444.6 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 444.12898299 g/mol |
| Monoisotopic Mass | 444.12898299 g/mol |
| Topological Polar Surface Area | 137 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 705 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |