3-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
Chemical Structure Depiction of
3-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
3-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
Compound characteristics
| Compound ID: | 6753-1221 |
| Compound Name: | 3-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol |
| Molecular Weight: | 448.93 |
| Molecular Formula: | C23 H17 Cl N4 O2 S |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1nc2c(c3ccccc3NC(c3cccc(c3)O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9626 |
| logD: | 4.9471 |
| logSw: | -4.65 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.643 |
| InChI Key: | SYHJGLSHMUSVLX-NRFANRHFSA-N |