391953-90-5
Product Name:
2-methyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one(SALTDATA: 2HCl 1H2O)
Formula:
C9H13N3O
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 179.22 g/mol |
|---|---|
| XLogP3 | -0.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 179.105862047 g/mol |
| Monoisotopic Mass | 179.105862047 g/mol |
| Topological Polar Surface Area | 53.5 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 304 |
| 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 |