338400-87-6
Product Name:
ETHYL 4-(4-CHLOROPHENYL)-7,7-DIMETHYL-5-OXO-2-(TRIFLUOROMETHYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXYLATE
Formula:
C21H21ClF3NO3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 427.8 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 427.1162057 g/mol |
| Monoisotopic Mass | 427.1162057 g/mol |
| Topological Polar Surface Area | 55.4 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 762 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |