1212488-03-3
Product Name:
dimethyl (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]butanedioate
Formula:
C18H21N3O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 391.4 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 391.12019195 g/mol |
| Monoisotopic Mass | 391.12019195 g/mol |
| Topological Polar Surface Area | 126 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 575 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |