590354-69-1
Product Name:
ethyl 2-(3-(3,4-dimethylphenyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Formula:
C22H28N2O2S2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 416.6 g/mol |
|---|---|
| XLogP3 | 6.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 416.15922049 g/mol |
| Monoisotopic Mass | 416.15922049 g/mol |
| Topological Polar Surface Area | 111 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 545 |
| 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 |