2-ethoxy-3-nitro-4-[2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
Chemical Structure Depiction of
2-ethoxy-3-nitro-4-[2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
2-ethoxy-3-nitro-4-[2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
Compound characteristics
| Compound ID: | 5511-0074 |
| Compound Name: | 2-ethoxy-3-nitro-4-[2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol |
| Molecular Weight: | 437.47 |
| Molecular Formula: | C22 H19 N3 O5 S |
| Smiles: | CCOc1c(ccc(C2N3C(CC(c4cccs4)=N3)c3ccccc3O2)c1[N+]([O-])=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2499 |
| logD: | 5.1473 |
| logSw: | -5.0439 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.689 |
| InChI Key: | CGFSLPRBQLGRQB-UHFFFAOYSA-N |