1-[3-(butylsulfanyl)-6-[4-(diethylamino)-2-methoxyphenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(butylsulfanyl)-6-[4-(diethylamino)-2-methoxyphenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(butylsulfanyl)-6-[4-(diethylamino)-2-methoxyphenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4896-4519 |
| Compound Name: | 1-[3-(butylsulfanyl)-6-[4-(diethylamino)-2-methoxyphenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 507.65 |
| Molecular Formula: | C27 H33 N5 O3 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3N(C(c3ccc(cc3OC)N(CC)CC)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5315 |
| logD: | 5.3175 |
| logSw: | -5.4188 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.006 |
| InChI Key: | WQZAKFZNEIBCNN-SANMLTNESA-N |