958983-82-9
Product Name:
(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]propanoic acid
Formula:
C21H19N5O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 405.4 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 405.14370410 g/mol |
| Monoisotopic Mass | 405.14370410 g/mol |
| Topological Polar Surface Area | 127 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 714 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |