108948-36-3
Product Name:
2-[4-[4-[N-Butyl-N-(3-phenylpropyl)amino]phenyl]-3-cyano-1,5-dihydro-5-oxo-2H-pyrrol-2-ylidene]malononitrile
Formula:
C27H25N5O
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COMPUTED DESCRIPTORS
| Molecular Weight | 435.5 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 435.20591044 g/mol |
| Monoisotopic Mass | 435.20591044 g/mol |
| Topological Polar Surface Area | 104 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 901 |
| 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 |