6-(2H-1,3-benzodioxol-5-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(2H-1,3-benzodioxol-5-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2846 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3NC(c3ccc4c(c3)OCO4)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6577 |
| logD: | 5.6577 |
| logSw: | -5.4325 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.413 |
| InChI Key: | DZSYTOOTSOJRNY-FQEVSTJZSA-N |