106364-97-0
Product Name:
4-[(E)-(DIMETHYLAMINO)METHYLIDENE]-3,4-DIHYDRO-1-BENZOTHIEPIN-5(2H)-ONE
Formula:
C13H15NOS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 233.33 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 233.08743528 g/mol |
| Monoisotopic Mass | 233.08743528 g/mol |
| Topological Polar Surface Area | 45.6 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 298 |
| 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 |