2-methoxy-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-methoxy-3-nitro-4-[2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
2-methoxy-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: | 5511-0073 |
| Compound Name: | 2-methoxy-3-nitro-4-[2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C21 H17 N3 O5 S |
| Smiles: | COc1c(ccc(C2N3C(CC(c4cccs4)=N3)c3ccccc3O2)c1[N+]([O-])=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7974 |
| logD: | 4.6186 |
| logSw: | -4.4784 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.109 |
| InChI Key: | UHSZQIAOIGVZGC-UHFFFAOYSA-N |