6-methyl-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-methyl-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-methyl-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 7809-0184 |
| Compound Name: | 6-methyl-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 314.41 |
| Molecular Formula: | C16 H18 N4 O S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3N=C(C)O2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.1202 |
| logD: | 4.1202 |
| logSw: | -4.3547 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.102 |
| InChI Key: | WTMOSFSWHIVYTJ-UHFFFAOYSA-N |