4-nitro-2-[2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
Chemical Structure Depiction of
4-nitro-2-[2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
4-nitro-2-[2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
Compound characteristics
| Compound ID: | 5511-0414 |
| Compound Name: | 4-nitro-2-[2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C20 H15 N3 O4 S |
| Smiles: | C1C2c3ccccc3OC(c3cc(ccc3O)[N+]([O-])=O)N2N=C1c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8646 |
| logD: | 4.6694 |
| logSw: | -4.5223 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.994 |
| InChI Key: | QBXJFNBAXULQBL-UHFFFAOYSA-N |