3-[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Chemical Structure Depiction of
3-[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
3-[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Compound characteristics
| Compound ID: | 4896-3916 |
| Compound Name: | 3-[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol |
| Molecular Weight: | 459.36 |
| Molecular Formula: | C20 H19 Br N4 O2 S |
| Smiles: | CCCCSc1nc2c(c3cc(ccc3NC(c3cccc(c3)O)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5143 |
| logD: | 5.4988 |
| logSw: | -5.1564 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.914 |
| InChI Key: | VOBZVZPCTMGUEF-GOSISDBHSA-N |