1173685-97-6
Product Name:
tert-butyl (3S)-3-[[2-(cyclopentylamino)-2-oxoethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Formula:
C22H31N3O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 401.5 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 401.23145648 g/mol |
| Monoisotopic Mass | 401.23145648 g/mol |
| Topological Polar Surface Area | 87.7 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 610 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |