4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenol
Chemical Structure Depiction of
4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenol
4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenol
Compound characteristics
| Compound ID: | 4896-1676 |
| Compound Name: | 4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenol |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C21 H22 N4 O3 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3ccc(c(c3)OC)O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2621 |
| logD: | 4.2573 |
| logSw: | -3.9465 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.476 |
| InChI Key: | SOKGVCXCXKZFRN-IBGZPJMESA-N |