6-[5-(3-chloro-2-methylphenyl)furan-2-yl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-[5-(3-chloro-2-methylphenyl)furan-2-yl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[5-(3-chloro-2-methylphenyl)furan-2-yl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3389 |
| Compound Name: | 6-[5-(3-chloro-2-methylphenyl)furan-2-yl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 436.92 |
| Molecular Formula: | C22 H17 Cl N4 O2 S |
| Smiles: | Cc1c(cccc1[Cl])c1ccc(C2Nc3ccccc3c3c(nc(nn3)SC)O2)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7161 |
| logD: | 5.7161 |
| logSw: | -6.0121 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.697 |
| InChI Key: | SNZAJUCWGJAHRK-FQEVSTJZSA-N |