ethyl {2-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetate
Chemical Structure Depiction of
ethyl {2-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetate
ethyl {2-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetate
Compound characteristics
| Compound ID: | 4896-4570 |
| Compound Name: | ethyl {2-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetate |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C24 H24 N4 O5 S |
| Smiles: | CCC(N1C(c2ccccc2OCC(=O)OCC)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7515 |
| logD: | 3.7515 |
| logSw: | -4.0053 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.388 |
| InChI Key: | LDKCTMITVHIZKN-QHCPKHFHSA-N |