4-(3-{[(2-fluorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzoic acid
Chemical Structure Depiction of
4-(3-{[(2-fluorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzoic acid
4-(3-{[(2-fluorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzoic acid
Compound characteristics
| Compound ID: | 4896-4173 |
| Compound Name: | 4-(3-{[(2-fluorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzoic acid |
| Molecular Weight: | 460.49 |
| Molecular Formula: | C24 H17 F N4 O3 S |
| Smiles: | C(c1ccccc1F)Sc1nc2c(c3ccccc3NC(c3ccc(cc3)C(O)=O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2478 |
| logD: | 2.2764 |
| logSw: | -5.0239 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.434 |
| InChI Key: | ZREPGLOJGAARBD-NRFANRHFSA-N |