3-(ethylsulfanyl)-6-(3-phenyl-1H-pyrazol-4-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(ethylsulfanyl)-6-(3-phenyl-1H-pyrazol-4-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(ethylsulfanyl)-6-(3-phenyl-1H-pyrazol-4-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2716 |
| Compound Name: | 3-(ethylsulfanyl)-6-(3-phenyl-1H-pyrazol-4-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 402.48 |
| Molecular Formula: | C21 H18 N6 O S |
| Smiles: | CCSc1nc2c(c3ccccc3NC(c3c[nH]nc3c3ccccc3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9619 |
| logD: | 3.9619 |
| logSw: | -4.0817 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.487 |
| InChI Key: | LCQWKMFIWICSOM-IBGZPJMESA-N |