3-(propylsulfanyl)-6-(thiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(propylsulfanyl)-6-(thiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(propylsulfanyl)-6-(thiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2040-0131 |
| Compound Name: | 3-(propylsulfanyl)-6-(thiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 356.47 |
| Molecular Formula: | C17 H16 N4 O S2 |
| Smiles: | CCCSc1nc2c(c3ccccc3NC(c3cccs3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9563 |
| logD: | 3.9563 |
| logSw: | -4.0297 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.316 |
| InChI Key: | ZHGQOXLKIZHWIO-HNNXBMFYSA-N |