6-(4-fluorophenyl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(4-fluorophenyl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(4-fluorophenyl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3268 |
| Compound Name: | 6-(4-fluorophenyl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 366.41 |
| Molecular Formula: | C19 H15 F N4 O S |
| Smiles: | C=CCSc1nc2c(c3ccccc3NC(c3ccc(cc3)F)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3174 |
| logD: | 4.3174 |
| logSw: | -4.5075 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | VQIWPWVKKIMQQX-KRWDZBQOSA-N |