956785-34-5
Product Name:
methyl 2-(3-(4-chloro-1-ethyl-1H-pyrazole-5-carbonyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Formula:
C19H23ClN4O3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 455.0 g/mol |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 454.0900106 g/mol |
| Monoisotopic Mass | 454.0900106 g/mol |
| Topological Polar Surface Area | 146 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 626 |
| 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 |