693239-79-1
Product Name:
methyl 2-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Formula:
C21H22N2O5S2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 446.5 g/mol |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 446.09701415 g/mol |
| Monoisotopic Mass | 446.09701415 g/mol |
| Topological Polar Surface Area | 146 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 663 |
| 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 |