6-[5-(4-fluorophenyl)furan-2-yl]-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-[5-(4-fluorophenyl)furan-2-yl]-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[5-(4-fluorophenyl)furan-2-yl]-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3280 |
| Compound Name: | 6-[5-(4-fluorophenyl)furan-2-yl]-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 432.47 |
| Molecular Formula: | C23 H17 F N4 O2 S |
| Smiles: | C=CCSc1nc2c(c3ccccc3NC(c3ccc(c4ccc(cc4)F)o3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.487 |
| logD: | 5.487 |
| logSw: | -5.8614 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.697 |
| InChI Key: | FHPRVLSVNOPMIM-NRFANRHFSA-N |