745808-81-5
Product Name:
Propanamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]-
Formula:
C21H21N3O3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 427.5 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 427.10243389 g/mol |
| Monoisotopic Mass | 427.10243389 g/mol |
| Topological Polar Surface Area | 127 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 598 |
| 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 |