6-[5-(4-fluorophenyl)furan-2-yl]-3-{[(4-methylphenyl)methyl]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-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[5-(4-fluorophenyl)furan-2-yl]-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-4304 |
| Compound Name: | 6-[5-(4-fluorophenyl)furan-2-yl]-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C28 H21 F N4 O2 S |
| Smiles: | Cc1ccc(CSc2nc3c(c4ccccc4NC(c4ccc(c5ccc(cc5)F)o4)O3)nn2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4575 |
| logD: | 6.4575 |
| logSw: | -5.8525 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.425 |
| InChI Key: | RWPBKGDBIWGLRD-SANMLTNESA-N |