6-[5-(5-chloro-2-methylphenyl)furan-2-yl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-[5-(5-chloro-2-methylphenyl)furan-2-yl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[5-(5-chloro-2-methylphenyl)furan-2-yl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3382 |
| Compound Name: | 6-[5-(5-chloro-2-methylphenyl)furan-2-yl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 450.95 |
| Molecular Formula: | C23 H19 Cl N4 O2 S |
| Smiles: | CCSc1nc2c(c3ccccc3NC(c3ccc(c4cc(ccc4C)[Cl])o3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1962 |
| logD: | 6.1962 |
| logSw: | -6.1787 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.697 |
| InChI Key: | YPNKNIPCZCFUJG-NRFANRHFSA-N |