6-(5-methylfuran-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-methylfuran-2-yl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(5-methylfuran-2-yl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-4295 |
| Compound Name: | 6-(5-methylfuran-2-yl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C23 H20 N4 O2 S |
| Smiles: | Cc1ccc(CSc2nc3c(c4ccccc4NC(c4ccc(C)o4)O3)nn2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9587 |
| logD: | 4.9587 |
| logSw: | -4.642 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.118 |
| InChI Key: | JAILTBAHFZDJCF-NRFANRHFSA-N |