4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzene-1,2-diol
Chemical Structure Depiction of
4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzene-1,2-diol
4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzene-1,2-diol
Compound characteristics
| Compound ID: | 4896-4835 |
| Compound Name: | 4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzene-1,2-diol |
| Molecular Weight: | 464.93 |
| Molecular Formula: | C23 H17 Cl N4 O3 S |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1nc2c(c3ccccc3NC(c3ccc(c(c3)O)O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3533 |
| logD: | 4.3199 |
| logSw: | -4.5328 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.122 |
| InChI Key: | GUXCEHUWGUKRCF-NRFANRHFSA-N |