75643-16-2
Product Name:
Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-((d imethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1)
Formula:
C27H29N3O.C2H2O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 501.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 501.22637110 g/mol |
| Monoisotopic Mass | 501.22637110 g/mol |
| Topological Polar Surface Area | 101 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 687 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |