3-{[(4-chlorophenyl)methyl]sulfanyl}-6-[2-(furan-2-yl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-6-[2-(furan-2-yl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-{[(4-chlorophenyl)methyl]sulfanyl}-6-[2-(furan-2-yl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6753-0841 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-6-[2-(furan-2-yl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 448.93 |
| Molecular Formula: | C23 H17 Cl N4 O2 S |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1nc2c(c3ccccc3NC(/C=C/c3ccco3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0625 |
| logD: | 5.0625 |
| logSw: | -5.1743 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.123 |
| InChI Key: | MMFZNGNWMWKGIM-FQEVSTJZSA-N |