3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6969-0928 |
| Compound Name: | 3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 286.35 |
| Molecular Formula: | C14 H14 N4 O S |
| Smiles: | CCCCSc1nc2c(c3ccccc3N=CO2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.1514 |
| logD: | 3.1514 |
| logSw: | -3.5508 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.281 |
| InChI Key: | IVXUMDDLAVITOW-UHFFFAOYSA-N |