10-bromo-6-(5-methylfuran-2-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-6-(5-methylfuran-2-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-6-(5-methylfuran-2-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-4773 |
| Compound Name: | 10-bromo-6-(5-methylfuran-2-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 461.38 |
| Molecular Formula: | C20 H21 Br N4 O2 S |
| Smiles: | CCCCCSc1nc2c(c3cc(ccc3NC(c3ccc(C)o3)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3624 |
| logD: | 6.3624 |
| logSw: | -5.5684 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.39 |
| InChI Key: | VTTRHHGGOKNOID-GOSISDBHSA-N |