700849-32-7
Product Name:
ethyl 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}piperidine-3-carboxylate
Formula:
C26H30N4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 446.5 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 446.23179083 g/mol |
| Monoisotopic Mass | 446.23179083 g/mol |
| Topological Polar Surface Area | 83.4 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 759 |
| 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 |