6-(2,6-dichlorophenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(2,6-dichlorophenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(2,6-dichlorophenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2040-0001 |
| Compound Name: | 6-(2,6-dichlorophenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 405.3 |
| Molecular Formula: | C18 H14 Cl2 N4 O S |
| Smiles: | CCSc1nc2c(c3ccccc3NC(c3c(cccc3[Cl])[Cl])O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.507 |
| logD: | 4.507 |
| logSw: | -4.5452 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | SNPUOGHHLAVZIG-INIZCTEOSA-N |