2250323-50-1
Product Name:
JWG-071
Formula:
C34H44N8O3
Synonyms:
11-(sec-butyl)-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl)phenyl)amino)-5-methyl-5,11-dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one;5,11-Dihydro-2-[[2-methoxy-4-[[4-(4-methyl-1-piperazinyl)-1-piperidinyl]carbonyl]phenyl]amino]-5-methyl-11-(1-methylpropyl)-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
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COMPUTED DESCRIPTORS
| Molecular Weight | 612.8 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 612.35363730 g/mol |
| Monoisotopic Mass | 612.35363730 g/mol |
| Topological Polar Surface Area | 97.4 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |