1-[3-(ethylsulfanyl)-6-(2-methoxyphenyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(ethylsulfanyl)-6-(2-methoxyphenyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(ethylsulfanyl)-6-(2-methoxyphenyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-2278 |
| Compound Name: | 1-[3-(ethylsulfanyl)-6-(2-methoxyphenyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | CCSc1nc2c(c3cc(C)cc(C)c3N(C(c3ccccc3OC)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9215 |
| logD: | 4.9215 |
| logSw: | -4.6882 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.427 |
| InChI Key: | ISPFANXESILWFY-QFIPXVFZSA-N |