Cycloxaprid
| PubChem CID | 45278274 |
| Molecular Formula | C14H15ClN4O3 |
| Structure |
|
| Synonyms |
Cycloxaprid
1203791-41-6 CHEMBL2227757 SCHEMBL12695473 1ST20815 5,8-Epoxy-1H-imidazo[1,2-a]azepine, 1-[(6-chloro-3-pyridinyl)methyl]-2,3,5,6,7,8-hexahydro-9-nitro-, (5S,8R)- 5,8-Epoxy-1H-imidazo[1,2-a]azepine, 1-[(6-chloro-3-pyridinyl)methyl]-2,3,5,6,7,8-hexahydro-9-nitro-, (5S,8R)-; Cycloxaprid |
Computed Descriptors
| IUPAC Name | (1S,8R)-5-[(6-chloropyridin-3-yl)methyl]-7-nitro-11-oxa-2,5-diazatricyclo[6.2.1.02,6]undec-6-ene |
| SMILES | C1C[C@H]2N3CCN(C3=C([C@@H]1O2)[N+](=O)[O-])CC4=CN=C(C=C4)Cl |
| Canonical SMILES | C1CC2N3CCN(C3=C(C1O2)[N+](=O)[O-])CC4=CN=C(C=C4)Cl |
| InChI | InChI=1S/C14H15ClN4O3/c15-11-3-1-9(7-16-11)8-17-5-6-18-12-4-2-10(22-12)13(14(17)18)19(20)21/h1,3,7,10,12H,2,4-6,8H2/t10-,12+/m1/s1 |
| InChIKey | NDHXMRFNYMNBKO-PWSUYJOCSA-N |
Computed Properties
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| Molecular Weight | 322.75 g/mol |
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 322.083 |
| Monoisotopic Mass | 322.083 |
| Topological Polar Surface Area | 74.4 |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 509 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
1 pairs of Verified P450 and Cycloxaprid
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Nilaparvata lugens | CYP6ER1VA | D |