440358-84-9
Product Name:
3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, methanesulfonate, hydrate (1:1:1)
Formula:
C21H29ClN2O8S
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COMPUTED DESCRIPTORS
| Molecular Weight | 523.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 10 |
| Exact Mass | 522.1438794 g/mol |
| Monoisotopic Mass | 522.1438794 g/mol |
| Topological Polar Surface Area | 164 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 739 |
| 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 | 3 |
| Compound Is Canonicalized | Yes |