10-bromo-6-(3-ethoxy-2-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-6-(3-ethoxy-2-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-6-(3-ethoxy-2-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-4061 |
| Compound Name: | 10-bromo-6-(3-ethoxy-2-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 489.39 |
| Molecular Formula: | C21 H21 Br N4 O3 S |
| Smiles: | CCOc1cccc(C2Nc3ccc(cc3c3c(nc(nn3)SCC)O2)[Br])c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.318 |
| logD: | 5.318 |
| logSw: | -5.4619 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.225 |
| InChI Key: | AEKSBQRIUIJSPW-LJQANCHMSA-N |