477768-56-2
Product Name:
METHYL 3-BENZOYL-2-(4-CHLOROPHENYL)-1,3-THIAZOLANE-4-CARBOXYLATE
Formula:
C18H16ClNO3S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | 34.1 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
Molecular Weight | 361.8 g/mol |
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XLogP3 | 4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 4 |
Exact Mass | 361.0539422 g/mol |
Monoisotopic Mass | 361.0539422 g/mol |
Topological Polar Surface Area | 71.9 Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 461 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 2 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |