3-(butylsulfanyl)-6-(3-ethoxy-2-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(butylsulfanyl)-6-(3-ethoxy-2-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(butylsulfanyl)-6-(3-ethoxy-2-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-5319 |
| Compound Name: | 3-(butylsulfanyl)-6-(3-ethoxy-2-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C23 H26 N4 O3 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3cccc(c3OC)OCC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4004 |
| logD: | 5.4004 |
| logSw: | -5.4641 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.225 |
| InChI Key: | URQIYHKKFWVGBI-NRFANRHFSA-N |