3-(benzylsulfanyl)-6-(5-bromothiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(benzylsulfanyl)-6-(5-bromothiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(benzylsulfanyl)-6-(5-bromothiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2743 |
| Compound Name: | 3-(benzylsulfanyl)-6-(5-bromothiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 483.41 |
| Molecular Formula: | C21 H15 Br N4 O S2 |
| Smiles: | C(c1ccccc1)Sc1nc2c(c3ccccc3NC(c3ccc(s3)[Br])O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3955 |
| logD: | 5.3955 |
| logSw: | -5.8182 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.044 |
| InChI Key: | BXRWWBJEYYUIMJ-IBGZPJMESA-N |