6-ethyl-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-ethyl-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-ethyl-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 8190-0404 |
| Compound Name: | 6-ethyl-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 272.33 |
| Molecular Formula: | C13 H12 N4 O S |
| Smiles: | CCC1=Nc2ccccc2c2c(nc(nn2)SC)O1 |
| Stereo: | ACHIRAL |
| logP: | 2.4464 |
| logD: | 2.4464 |
| logSw: | -2.8734 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.027 |
| InChI Key: | UIPKHDYTPHFKST-UHFFFAOYSA-N |