3-(ethylsulfanyl)-6-(2-methoxynaphthalen-1-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(ethylsulfanyl)-6-(2-methoxynaphthalen-1-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(ethylsulfanyl)-6-(2-methoxynaphthalen-1-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 1927-8640 |
| Compound Name: | 3-(ethylsulfanyl)-6-(2-methoxynaphthalen-1-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C23 H20 N4 O2 S |
| Smiles: | CCSc1nc2c(c3ccccc3NC(c3c(ccc4ccccc34)OC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0423 |
| logD: | 5.0423 |
| logSw: | -5.5552 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.656 |
| InChI Key: | UGNBTAZJBYSGRS-NRFANRHFSA-N |