3-(ethylsulfanyl)-6-[2-(pentyloxy)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(ethylsulfanyl)-6-[2-(pentyloxy)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(ethylsulfanyl)-6-[2-(pentyloxy)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | Y500-4923 |
| Compound Name: | 3-(ethylsulfanyl)-6-[2-(pentyloxy)phenyl]-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: | CCCCCOc1ccccc1C1Nc2ccccc2c2c(nc(nn2)SCC)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2408 |
| logD: | 6.2408 |
| logSw: | -5.5354 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.802 |
| InChI Key: | AFPMOVRXMZYZFO-NRFANRHFSA-N |