3-(benzylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(benzylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(benzylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3991 |
| Compound Name: | 3-(benzylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C23 H17 F N4 O S |
| Smiles: | C(c1ccccc1)Sc1nc2c(c3ccccc3NC(c3ccccc3F)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.941 |
| logD: | 4.941 |
| logSw: | -4.9108 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.026 |
| InChI Key: | WBVPERRIVPBGPD-NRFANRHFSA-N |