321521-55-5
Product Name:
N-[6-BROMO-3-(HYDROXYMETHYL)-3,4-DIHYDRO-2H-CHROMEN-4-YL]-N-METHYL-N'-(4-NITROPHENYL)THIOUREA
Formula:
C18H18BrN3O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 452.3 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 451.02014 g/mol |
| Monoisotopic Mass | 451.02014 g/mol |
| Topological Polar Surface Area | 123 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 541 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |