85677-93-6
Product Name:
NIMODIPINE RELATED COMPOUND A (50 MG) (2-METHOXYETHYL 1-METHYLETHYL 2,6-DIMETHYL-4-(3-NITROPHENYL)PYRIDINE-3,5-DICARBOXYLATE)
Formula:
C21H24N2O7
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 2655 |
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COMPUTED DESCRIPTORS
Molecular Weight | 416.4 g/mol |
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XLogP3 | 3.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 9 |
Exact Mass | 416.15835111 g/mol |
Monoisotopic Mass | 416.15835111 g/mol |
Topological Polar Surface Area | 121 Ų |
Heavy Atom Count | 30 |
Formal Charge | 0 |
Complexity | 607 |
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 |