76981-87-8
Product Name:
2-(2-CHLORO-ACETYLAMINO)-6-METHYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
Formula:
C14H18ClNO3S
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COMPUTED DESCRIPTORS
Molecular Weight | 315.8 g/mol |
---|---|
XLogP3 | 4.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 5 |
Exact Mass | 315.0695923 g/mol |
Monoisotopic Mass | 315.0695923 g/mol |
Topological Polar Surface Area | 83.6 Ų |
Heavy Atom Count | 20 |
Formal Charge | 0 |
Complexity | 379 |
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 |