306980-01-8
Product Name:
ETHYL 6-[(4-CHLOROPHENYL)SULFANYL]-5-CYANO-2-PHENYLNICOTINATE
Formula:
C21H15ClN2O2S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 394.9 g/mol |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 394.0542766 g/mol |
| Monoisotopic Mass | 394.0542766 g/mol |
| Topological Polar Surface Area | 88.3 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 538 |
| 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 |