3-(4-fluoro-3-nitrophenyl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Chemical Structure Depiction of
3-(4-fluoro-3-nitrophenyl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
3-(4-fluoro-3-nitrophenyl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Compound characteristics
| Compound ID: | E754-0540 |
| Compound Name: | 3-(4-fluoro-3-nitrophenyl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one |
| Molecular Weight: | 382.35 |
| Molecular Formula: | C20 H15 F N2 O5 |
| Smiles: | C1CC2=C(C1)c1ccc3c(CN(CO3)c3ccc(c(c3)[N+]([O-])=O)F)c1OC2=O |
| Stereo: | ACHIRAL |
| logP: | 3.9444 |
| logD: | 3.9444 |
| logSw: | -4.2745 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.516 |
| InChI Key: | CTSHWTIRUSJIMM-UHFFFAOYSA-N |