866134-53-4
Product Name:
6-(Carboxymethyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
Formula:
C18H17NO8S
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COMPUTED DESCRIPTORS
| Molecular Weight | 407.4 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 407.06748767 g/mol |
| Monoisotopic Mass | 407.06748767 g/mol |
| Topological Polar Surface Area | 139 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 682 |
| 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 |