6439-98-1
Product Name:
Δ3-1,2,3-Thiadiazoline-Δ5,N-carbamic acid, 2-benzoyl-, phenyl ester (7CI,8CI)
Formula:
C16H11N3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 463.5 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 463.09503983 g/mol |
| Monoisotopic Mass | 463.09503983 g/mol |
| Topological Polar Surface Area | 167 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 714 |
| 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 |