3-(butylsulfanyl)-6-[2-(thiophen-2-yl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(butylsulfanyl)-6-[2-(thiophen-2-yl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(butylsulfanyl)-6-[2-(thiophen-2-yl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2283 |
| Compound Name: | 3-(butylsulfanyl)-6-[2-(thiophen-2-yl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C20 H20 N4 O S2 |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(/C=C/c3cccs3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2297 |
| logD: | 5.2297 |
| logSw: | -5.0731 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.664 |
| InChI Key: | OHXOUHGNVVTIBS-KRWDZBQOSA-N |