790272-08-1
Product Name:
2H-Azepin-2-one, 1-[[4,5-dihydro-4-(2-pyridinyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]hexahydro-
Formula:
C14H17N5OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 303.39 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 303.11538136 g/mol |
| Monoisotopic Mass | 303.11538136 g/mol |
| Topological Polar Surface Area | 92.9 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 453 |
| 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 |