4-(3-{[(2-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
Chemical Structure Depiction of
4-(3-{[(2-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
4-(3-{[(2-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
Compound characteristics
| Compound ID: | 4896-4119 |
| Compound Name: | 4-(3-{[(2-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(c1ccccc1[Cl])Sc1nc2c(c3ccccc3NC(c3ccc(cc3)O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.152 |
| logD: | 5.1497 |
| logSw: | -5.1089 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.643 |
| InChI Key: | PCAZKHLYCAMLFM-NRFANRHFSA-N |