10-bromo-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6969-1009 |
| Compound Name: | 10-bromo-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 323.17 |
| Molecular Formula: | C11 H7 Br N4 O S |
| Smiles: | CSc1nc2c(c3cc(ccc3N=CO2)[Br])nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.6973 |
| logD: | 2.6973 |
| logSw: | -3.1725 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.281 |
| InChI Key: | KXVUHDZZLAIVNG-UHFFFAOYSA-N |