3-(ethylsulfanyl)-6-{1-[4-(propan-2-yl)phenyl]prop-1-en-2-yl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(ethylsulfanyl)-6-{1-[4-(propan-2-yl)phenyl]prop-1-en-2-yl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(ethylsulfanyl)-6-{1-[4-(propan-2-yl)phenyl]prop-1-en-2-yl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | Y508-1512 |
| Compound Name: | 3-(ethylsulfanyl)-6-{1-[4-(propan-2-yl)phenyl]prop-1-en-2-yl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C24 H26 N4 O S |
| Smiles: | CCSc1nc2c(c3ccccc3NC(C(\C)=C\c3ccc(cc3)C(C)C)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3791 |
| logD: | 6.3791 |
| logSw: | -5.7892 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | XKJBMDXVEQDPDU-QFIPXVFZSA-N |