1957203-01-8
Product Name:
YKL-5-124
Formula:
C28H33N7O3
Synonyms:
(S)-3-(4-acrylamidobenzamido)-N-(2-(dimethylamino)-1-phenylethyl)-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxamide;N-[(1S)-2-(Dimethylamino)-1-phenylethyl]-4,6-dihydro-6,6-dimethyl-3-[[4-[(1-oxo-2-propen-1-yl)amino]benzoyl]amino]-pyrrolo[3,4-c]pyrazole-5(1H)-carboxamide
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COMPUTED DESCRIPTORS
| Molecular Weight | 515.6 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 515.26448794 g/mol |
| Monoisotopic Mass | 515.26448794 g/mol |
| Topological Polar Surface Area | 123 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 865 |
| 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 |