6-(2H-1,3-benzodioxol-5-yl)-3-(butylsulfanyl)-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-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(2H-1,3-benzodioxol-5-yl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2049-1941 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3ccc4c(c3)OCO4)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9771 |
| logD: | 4.9771 |
| logSw: | -4.6253 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.413 |
| InChI Key: | QPUXQTZXQLDKBO-IBGZPJMESA-N |