6-(5-bromofuran-2-yl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(5-bromofuran-2-yl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(5-bromofuran-2-yl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-4099 |
| Compound Name: | 6-(5-bromofuran-2-yl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 501.79 |
| Molecular Formula: | C21 H14 Br Cl N4 O2 S |
| Smiles: | C(c1ccccc1[Cl])Sc1nc2c(c3ccccc3NC(c3ccc(o3)[Br])O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7858 |
| logD: | 5.7858 |
| logSw: | -6.0406 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.952 |
| InChI Key: | CRQGCXKUJJAOKJ-IBGZPJMESA-N |