331459-69-9
Product Name:
4-[4-(TERT-BUTYL)PHENYL]-2-[(4-CHLOROPHENYL)SULFANYL]-4-OXOBUTANOIC ACID
Formula:
C20H21ClO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 376.9 g/mol |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 376.0899934 g/mol |
| Monoisotopic Mass | 376.0899934 g/mol |
| Topological Polar Surface Area | 79.7 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 458 |
| 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 |