479232-57-0
Product Name:
(S)-2-(4-methyl-1,4-diazepane-1-carbonothioyl)-N-(2-methyl-4-(1-methyl-1,4,5,10-tetrahydrobenzo[b]pyrazolo[3,4-e][1,4]diazepine-5-carbonyl)benzyl)pyrrolidine-1-carboxamide
Formula:
C32H40N8O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 600.8 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 600.29949372 g/mol |
| Monoisotopic Mass | 600.29949372 g/mol |
| Topological Polar Surface Area | 121 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 1020 |
| 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 |