3-(butylsulfanyl)-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(butylsulfanyl)-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(butylsulfanyl)-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2050-0221 |
| Compound Name: | 3-(butylsulfanyl)-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 475.53 |
| Molecular Formula: | C24 H21 N5 O4 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3ccc(c4ccc(cc4)[N+]([O-])=O)o3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1421 |
| logD: | 6.1421 |
| logSw: | -5.5727 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.078 |
| InChI Key: | QSRHBZWIYGRXLF-QFIPXVFZSA-N |