3-(butylsulfanyl)-6-(2-propoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(butylsulfanyl)-6-(2-propoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(butylsulfanyl)-6-(2-propoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2049-1795 |
| Compound Name: | 3-(butylsulfanyl)-6-(2-propoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3ccccc3OCCC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2352 |
| logD: | 6.2352 |
| logSw: | -5.6125 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.802 |
| InChI Key: | WBJOKGUIGKXOSV-NRFANRHFSA-N |