6-(2,4-dichlorophenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(2,4-dichlorophenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(2,4-dichlorophenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
Compound ID: | 4896-0136 |
Compound Name: | 6-(2,4-dichlorophenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
Molecular Weight: | 391.28 |
Molecular Formula: | C17 H12 Cl2 N4 O S |
Smiles: | CSc1nc2c(c3ccccc3NC(c3ccc(cc3[Cl])[Cl])O2)nn1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.025 |
logD: | 5.025 |
logSw: | -5.072 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.297 |
InChI Key: | UFBMZKBERAEXTJ-HNNXBMFYSA-N |