6-(5-bromothiophen-2-yl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(5-bromothiophen-2-yl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(5-bromothiophen-2-yl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2285 |
| Compound Name: | 6-(5-bromothiophen-2-yl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 449.39 |
| Molecular Formula: | C18 H17 Br N4 O S2 |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3ccc(s3)[Br])O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6068 |
| logD: | 5.6068 |
| logSw: | -5.4845 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.316 |
| InChI Key: | CTQNVYBBMHPCFL-INIZCTEOSA-N |