5-(2-methoxy-5-nitrophenyl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Chemical Structure Depiction of
5-(2-methoxy-5-nitrophenyl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
5-(2-methoxy-5-nitrophenyl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Compound characteristics
| Compound ID: | 5511-0356 |
| Compound Name: | 5-(2-methoxy-5-nitrophenyl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine |
| Molecular Weight: | 407.45 |
| Molecular Formula: | C21 H17 N3 O4 S |
| Smiles: | COc1ccc(cc1C1N2C(CC(c3cccs3)=N2)c2ccccc2O1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2379 |
| logD: | 5.2379 |
| logSw: | -5.2032 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.076 |
| InChI Key: | YPWDOGOPNRXSNB-UHFFFAOYSA-N |