1-[6-(2-methoxynaphthalen-1-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Chemical Structure Depiction of
1-[6-(2-methoxynaphthalen-1-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
1-[6-(2-methoxynaphthalen-1-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Compound characteristics
| Compound ID: | 4896-4396 |
| Compound Name: | 1-[6-(2-methoxynaphthalen-1-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C25 H22 N4 O3 S |
| Smiles: | CCC(N1C(c2c(ccc3ccccc23)OC)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7565 |
| logD: | 4.7565 |
| logSw: | -5.4442 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.003 |
| InChI Key: | SUTNEJSFIYBFCD-DEOSSOPVSA-N |