6-[5-(2-chlorophenyl)furan-2-yl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-[5-(2-chlorophenyl)furan-2-yl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[5-(2-chlorophenyl)furan-2-yl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2040-0809 |
| Compound Name: | 6-[5-(2-chlorophenyl)furan-2-yl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 422.89 |
| Molecular Formula: | C21 H15 Cl N4 O2 S |
| Smiles: | CSc1nc2c(c3ccccc3NC(c3ccc(c4ccccc4[Cl])o3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1601 |
| logD: | 5.1601 |
| logSw: | -5.4863 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.697 |
| InChI Key: | KPEQSXVZCOTDBE-IBGZPJMESA-N |