2-methoxy-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Chemical Structure Depiction of
2-methoxy-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
2-methoxy-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Compound characteristics
| Compound ID: | 4896-2845 |
| Compound Name: | 2-methoxy-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3NC(c3ccc(c(c3)OC)O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9427 |
| logD: | 4.9379 |
| logSw: | -4.3674 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.476 |
| InChI Key: | YIFNOKGSRADKHD-FQEVSTJZSA-N |