1-[3-(methylsulfanyl)-6-(3-phenoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(methylsulfanyl)-6-(3-phenoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(methylsulfanyl)-6-(3-phenoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4896-3679 |
| Compound Name: | 1-[3-(methylsulfanyl)-6-(3-phenoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C25 H20 N4 O3 S |
| Smiles: | CC(N1C(c2cccc(c2)Oc2ccccc2)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.799 |
| logD: | 4.799 |
| logSw: | -4.7403 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.387 |
| InChI Key: | DZFDUSRGSUQPEF-DEOSSOPVSA-N |