318959-03-4
Product Name:
N-[2-(HYDROXYMETHYL)-2,3-DIHYDRO-1H-BENZO[F]CHROMEN-1-YL]-N'-(4-NITROPHENYL)THIOUREA
Formula:
C21H19N3O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 409.5 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 409.10962727 g/mol |
| Monoisotopic Mass | 409.10962727 g/mol |
| Topological Polar Surface Area | 131 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 593 |
| 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 |