3-(ethylsulfanyl)-6-(2,4,6-trimethylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(ethylsulfanyl)-6-(2,4,6-trimethylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(ethylsulfanyl)-6-(2,4,6-trimethylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3422 |
| Compound Name: | 3-(ethylsulfanyl)-6-(2,4,6-trimethylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C21 H22 N4 O S |
| Smiles: | CCSc1nc2c(c3ccccc3NC(c3c(C)cc(C)cc3C)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4427 |
| logD: | 5.4427 |
| logSw: | -5.4489 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | YFRMUHSYVDVRSA-IBGZPJMESA-N |