27068-88-8
Product Name:
(2S,3S)-3-HYDROXY-2-(4-METHOXY-PHEN YL)-2,3-DIHYDRO-5H-BENZO[B][1,4]THI AZEPIN-4-ONE
Formula:
C16H15NO3S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 6.2 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 301.4 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 301.07726451 g/mol |
| Monoisotopic Mass | 301.07726451 g/mol |
| Topological Polar Surface Area | 83.9 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 371 |
| 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 |