6-(3-bromo-4-methoxyphenyl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(3-bromo-4-methoxyphenyl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(3-bromo-4-methoxyphenyl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2050-0229 |
| Compound Name: | 6-(3-bromo-4-methoxyphenyl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 473.39 |
| Molecular Formula: | C21 H21 Br N4 O2 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3ccc(c(c3)[Br])OC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4353 |
| logD: | 5.4353 |
| logSw: | -5.443 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.928 |
| InChI Key: | UGEIUBBMYZAMDD-IBGZPJMESA-N |