303987-92-0
Product Name:
METHYL 3-OXO-4-[3-(TRIFLUOROMETHYL)BENZYL]-3,4-DIHYDRO-2H-1,4-BENZOTHIAZINE-6-CARBOXYLATE
Formula:
C18H14F3NO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 381.4 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 381.06464897 g/mol |
| Monoisotopic Mass | 381.06464897 g/mol |
| Topological Polar Surface Area | 71.9 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 542 |
| 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 |