339108-38-2
Product Name:
ETHYL 3-METHYL-1-OXO-1,4-DIHYDRO-1LAMBDA4,4-BENZOTHIAZINE-2-CARBOXYLATE
Formula:
C12H13NO3S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 251.30 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 251.06161445 g/mol |
| Monoisotopic Mass | 251.06161445 g/mol |
| Topological Polar Surface Area | 87.4 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 321 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |