10-bromo-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 7033-0648 |
| Compound Name: | 10-bromo-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 365.25 |
| Molecular Formula: | C14 H13 Br N4 O S |
| Smiles: | CCCCSc1nc2c(c3cc(ccc3N=CO2)[Br])nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.115 |
| logD: | 4.115 |
| logSw: | -4.337 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.281 |
| InChI Key: | DATXMXDUUDLIMK-UHFFFAOYSA-N |