3-(ethylsulfanyl)-6-(3-phenoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(ethylsulfanyl)-6-(3-phenoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(ethylsulfanyl)-6-(3-phenoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | Y508-1513 |
| Compound Name: | 3-(ethylsulfanyl)-6-(3-phenoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C24 H20 N4 O2 S |
| Smiles: | CCSc1nc2c(c3ccccc3NC(c3cccc(c3)Oc3ccccc3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6417 |
| logD: | 5.6417 |
| logSw: | -5.612 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.045 |
| InChI Key: | MXBPSSYNRMLSGM-QFIPXVFZSA-N |