(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
PubChem CID: 10068433
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL5182821, BDBM50599314 |
|---|---|
| Topological Polar Surface Area | 94.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 500.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -0.2 |
| Is Pains | False |
| Molecular Formula | C10H10Br2N2O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KQYZOOUJAWUDAP-WCBMZHEXSA-N |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 2.0 |
| Compound Name | (5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 381.899 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 379.901 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 382.01 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9756495999999997 |
| Inchi | InChI=1S/C10H10Br2N2O4/c1-17-7-4(11)2-10(8(15)6(7)12)3-5(9(13)16)14-18-10/h2,8,15H,3H2,1H3,(H2,13,16)/t8-,10+/m0/s1 |
| Smiles | COC1=C([C@@H]([C@]2(CC(=NO2)C(=O)N)C=C1Br)O)Br |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhododendron Arboreum (Plant) Rel Props:Source_db:cmaup_ingredients