314244-45-6
Product Name:
4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLIC ACID, 2-[(3-CHLORO-1-OXOPROPYL)AMINO]-5,6,7,8-TETRAHYDRO-, ETHYL ESTER
Formula:
C15H20ClNO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 329.8 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 329.0852424 g/mol |
| Monoisotopic Mass | 329.0852424 g/mol |
| Topological Polar Surface Area | 83.6 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 380 |
| 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 |