56001-97-9
Product Name:
ACETIC ACID, CYANO[3-[(3-ETHYL-6-METHOXY-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-2-CYCLOHEXEN-1-YLIDENE]-, ETHYL ESTER
Formula:
C22H24N2O3S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 396.5 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 396.15076381 g/mol |
| Monoisotopic Mass | 396.15076381 g/mol |
| Topological Polar Surface Area | 87.9 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 746 |
| 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 |