6-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | Y508-5667 |
| Compound Name: | 6-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 524 |
| Molecular Formula: | C25 H22 Cl N5 O4 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3NC(c3ccc(c4ccc(cc4[Cl])[N+]([O-])=O)o3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2792 |
| logD: | 7.2792 |
| logSw: | -6.6281 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.078 |
| InChI Key: | TVNCKHWMMOJNKG-QHCPKHFHSA-N |