156963-66-5
Product Name:
3-(2-CHLORO-4-METHYLBENZOYL)-4-PHENYLTHIOBICYCLO[3,2,1]OCT-2-EN-4-ONE
Formula:
C22H19ClO4S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 447.0 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 446.0413291 g/mol |
| Monoisotopic Mass | 446.0413291 g/mol |
| Topological Polar Surface Area | 102 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 807 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-[2-chloro-4-(methylsulfonyl)benzoyl]-4-(phenylthio)bicyclo[3.2.1]oct-3-en-2-one is a carbobicyclic compound that is bicyclo[3.2.1]oct-3-en-2-one which is substituted at positions 3 and 4 by 2-chloro-4-(methylsulfonyl)benzoyl and phenylthio groups, respectively. It is a carbobicyclic compound, a cyclic ketone, an organic sulfide, a sulfone, a member of monochlorobenzenes and an aromatic ketone.