55952-71-1
Product Name:
ACETIC ACID, [3-[[5-CHLORO-3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE]METHYL]-2-CYCLOHEXEN-1-YLIDENE]CYANO-, ETHYL ESTER
Formula:
C21H21ClN2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 400.9 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 400.1012268 g/mol |
| Monoisotopic Mass | 400.1012268 g/mol |
| Topological Polar Surface Area | 78.6 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 734 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |