[2-ethoxy-4-(3-{[(2-fluorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenoxy]acetic acid
Chemical Structure Depiction of
[2-ethoxy-4-(3-{[(2-fluorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenoxy]acetic acid
[2-ethoxy-4-(3-{[(2-fluorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenoxy]acetic acid
Compound characteristics
| Compound ID: | 4896-3942 |
| Compound Name: | [2-ethoxy-4-(3-{[(2-fluorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenoxy]acetic acid |
| Molecular Weight: | 534.57 |
| Molecular Formula: | C27 H23 F N4 O5 S |
| Smiles: | CCOc1cc(ccc1OCC(O)=O)C1Nc2ccccc2c2c(nc(nn2)SCc2ccccc2F)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5937 |
| logD: | 0.3567 |
| logSw: | -4.3884 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.206 |
| InChI Key: | DOWAEIGPUKWSLB-VWLOTQADSA-N |