497060-95-4
Product Name:
4-(((4-(BENZO[3,4-D]1,3-DIOXOLAN-5-YLMETHYL)PIPERAZINYL)THIOXOMETHYL)AMINO)BENZENECARBONITRILE
Formula:
C20H20N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 380.5 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 380.13069707 g/mol |
| Monoisotopic Mass | 380.13069707 g/mol |
| Topological Polar Surface Area | 92.8 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 564 |
| 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 |