6-(3-ethoxy-2-methoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(3-ethoxy-2-methoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(3-ethoxy-2-methoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-5317 |
| Compound Name: | 6-(3-ethoxy-2-methoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | CCCSc1nc2c(c3ccccc3NC(c3cccc(c3OC)OCC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7162 |
| logD: | 4.7162 |
| logSw: | -4.4938 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.225 |
| InChI Key: | SFNGFHLGGXARKP-FQEVSTJZSA-N |