6-methyl-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-methyl-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-methyl-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 7809-0164 |
| Compound Name: | 6-methyl-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 286.35 |
| Molecular Formula: | C14 H14 N4 O S |
| Smiles: | CCCSc1nc2c(c3ccccc3N=C(C)O2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.7554 |
| logD: | 2.7553 |
| logSw: | -3.3559 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.102 |
| InChI Key: | IDGPDPQMESTRCG-UHFFFAOYSA-N |