1-[6-(5-methylthiophen-2-yl)-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(5-methylthiophen-2-yl)-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(5-methylthiophen-2-yl)-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 6848-0182 |
| Compound Name: | 1-[6-(5-methylthiophen-2-yl)-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 440.59 |
| Molecular Formula: | C22 H24 N4 O2 S2 |
| Smiles: | CCCCCSc1nc2c(c3ccccc3N(C(c3ccc(C)s3)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5872 |
| logD: | 5.5872 |
| logSw: | -5.3642 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.657 |
| InChI Key: | PFFQTDSBDVSHHQ-NRFANRHFSA-N |