1-{6-[2-(benzyloxy)-3-methoxyphenyl]-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Chemical Structure Depiction of
1-{6-[2-(benzyloxy)-3-methoxyphenyl]-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
1-{6-[2-(benzyloxy)-3-methoxyphenyl]-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Compound characteristics
| Compound ID: | 5511-0440 |
| Compound Name: | 1-{6-[2-(benzyloxy)-3-methoxyphenyl]-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one |
| Molecular Weight: | 528.63 |
| Molecular Formula: | C29 H28 N4 O4 S |
| Smiles: | CCC(N1C(c2cccc(c2OCc2ccccc2)OC)Oc2c(c3ccccc13)nnc(n2)SCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5436 |
| logD: | 5.5436 |
| logSw: | -5.4847 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.675 |
| InChI Key: | NWWGENDMOAUHJY-NDEPHWFRSA-N |