3-(butylsulfanyl)-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(butylsulfanyl)-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(butylsulfanyl)-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 7809-0174 |
| Compound Name: | 3-(butylsulfanyl)-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 300.38 |
| Molecular Formula: | C15 H16 N4 O S |
| Smiles: | CCCCSc1nc2c(c3ccccc3N=C(C)O2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.4396 |
| logD: | 3.4396 |
| logSw: | -3.9469 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.102 |
| InChI Key: | CRSOEZCBSBDFQX-UHFFFAOYSA-N |