3-(pentylsulfanyl)-6-(2,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(pentylsulfanyl)-6-(2,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(pentylsulfanyl)-6-(2,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3060 |
| Compound Name: | 3-(pentylsulfanyl)-6-(2,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C24 H28 N4 O4 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3NC(c3cc(c(cc3OC)OC)OC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1486 |
| logD: | 5.1486 |
| logSw: | -4.9632 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.189 |
| InChI Key: | MEXNWVFEPLVBCY-QFIPXVFZSA-N |