{2-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-methoxyphenoxy}acetic acid
Chemical Structure Depiction of
{2-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-methoxyphenoxy}acetic acid
{2-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-methoxyphenoxy}acetic acid
Compound characteristics
| Compound ID: | 4896-4113 |
| Compound Name: | {2-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-methoxyphenoxy}acetic acid |
| Molecular Weight: | 440.48 |
| Molecular Formula: | C21 H20 N4 O5 S |
| Smiles: | CCSc1nc2c(c3ccccc3NC(c3cccc(c3OCC(O)=O)OC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3045 |
| logD: | -0.9324 |
| logSw: | -3.6814 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.984 |
| InChI Key: | KUQTVJNFPMJKGE-IBGZPJMESA-N |