10-bromo-6-(4-methoxyphenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-6-(4-methoxyphenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-6-(4-methoxyphenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6753-0252 |
| Compound Name: | 10-bromo-6-(4-methoxyphenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 487.42 |
| Molecular Formula: | C22 H23 Br N4 O2 S |
| Smiles: | CCCCCSc1nc2c(c3cc(ccc3NC(c3ccc(cc3)OC)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6449 |
| logD: | 6.6449 |
| logSw: | -5.8146 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.841 |
| InChI Key: | GMFDYHGCBPEHDQ-HXUWFJFHSA-N |