1370290-53-1
Product Name:
Propanedioic acid, 2-[[4-[4-[[3-[(2-methyl-6-benzothiazolyl)amino]-3-oxopropyl]amino]-4-oxobutyl]phenyl]methyl]-, 1,3-diethyl ester
Formula:
C29H35N3O6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 553.7 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 16 |
| Exact Mass | 553.22465702 g/mol |
| Monoisotopic Mass | 553.22465702 g/mol |
| Topological Polar Surface Area | 152 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 801 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |