373619-92-2
Product Name:
ethyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]thiophene-3-carboxylate
Formula:
C27H19BrN2O4S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 547.4 g/mol |
|---|---|
| XLogP3 | 7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 546.02489 g/mol |
| Monoisotopic Mass | 546.02489 g/mol |
| Topological Polar Surface Area | 121 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 828 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |