4-[7-nitro-9-(phenylethynyl)-1,2,3,4,9,9a-hexahydro-4aH-xanthen-4a-yl]morpholine
Chemical Structure Depiction of
4-[7-nitro-9-(phenylethynyl)-1,2,3,4,9,9a-hexahydro-4aH-xanthen-4a-yl]morpholine
4-[7-nitro-9-(phenylethynyl)-1,2,3,4,9,9a-hexahydro-4aH-xanthen-4a-yl]morpholine
Compound characteristics
| Compound ID: | 3824-0026 |
| Compound Name: | 4-[7-nitro-9-(phenylethynyl)-1,2,3,4,9,9a-hexahydro-4aH-xanthen-4a-yl]morpholine |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C25 H26 N2 O4 |
| Smiles: | [H]C1(C#Cc2ccccc2)c2cc(ccc2OC2(CCCCC12[H])N1CCOCC1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.36 |
| logD: | 5.36 |
| logSw: | -5.6638 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.846 |
| InChI Key: | SKBBHBNUUXAXJS-UHFFFAOYSA-N |