904008-77-1
Product Name:
(2Z)-1-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(2,3,4,8,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-7-ylidene)ethanone
Formula:
C25H27ClN2O5S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 503.0 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 502.1329208 g/mol |
| Monoisotopic Mass | 502.1329208 g/mol |
| Topological Polar Surface Area | 93.3 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 869 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |