439121-08-1
Product Name:
3-[4-(METHYLSULFANYL)PHENYL]-3-(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)PROPANOIC ACID
Formula:
C18H17NO3S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 327.4 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 327.09291458 g/mol |
| Monoisotopic Mass | 327.09291458 g/mol |
| Topological Polar Surface Area | 82.9 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 448 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |