956818-92-1
Product Name:
(2S)-2-[[(3R)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carbonyl]amino]-3-phenylpropanoic acid
Formula:
C20H18N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 382.4 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 382.09872823 g/mol |
| Monoisotopic Mass | 382.09872823 g/mol |
| Topological Polar Surface Area | 112 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 607 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |