6-(2-ethoxynaphthalen-1-yl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(2-ethoxynaphthalen-1-yl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(2-ethoxynaphthalen-1-yl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 1927-8019 |
| Compound Name: | 6-(2-ethoxynaphthalen-1-yl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 430.53 |
| Molecular Formula: | C24 H22 N4 O2 S |
| Smiles: | CCOc1ccc2ccccc2c1C1Nc2ccccc2c2c(nc(nn2)SCC)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4307 |
| logD: | 5.4307 |
| logSw: | -6.5183 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.236 |
| InChI Key: | CWMJBCQYMUQGIW-QFIPXVFZSA-N |