10-bromo-3-(ethylsulfanyl)-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-3-(ethylsulfanyl)-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-3-(ethylsulfanyl)-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 7809-0281 |
| Compound Name: | 10-bromo-3-(ethylsulfanyl)-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 351.22 |
| Molecular Formula: | C13 H11 Br N4 O S |
| Smiles: | CCSc1nc2c(c3cc(ccc3N=C(C)O2)[Br])nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.3857 |
| logD: | 3.3857 |
| logSw: | -3.8868 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.102 |
| InChI Key: | QPBGEAKPQNJELY-UHFFFAOYSA-N |