3-(butylsulfanyl)-6-(2,3,4-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(butylsulfanyl)-6-(2,3,4-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(butylsulfanyl)-6-(2,3,4-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2050-0800 |
| Compound Name: | 3-(butylsulfanyl)-6-(2,3,4-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C23 H26 N4 O4 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3ccc(c(c3OC)OC)OC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9247 |
| logD: | 4.9247 |
| logSw: | -4.6998 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.362 |
| InChI Key: | DQHIMURXEAHQOP-NRFANRHFSA-N |