[2-methoxy-4-(3-{[(4-methylphenyl)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-methoxy-4-(3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenoxy]acetic acid
[2-methoxy-4-(3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenoxy]acetic acid
Compound characteristics
| Compound ID: | 4896-4453 |
| Compound Name: | [2-methoxy-4-(3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenoxy]acetic acid |
| Molecular Weight: | 516.58 |
| Molecular Formula: | C27 H24 N4 O5 S |
| Smiles: | Cc1ccc(CSc2nc3c(c4ccccc4NC(c4ccc(c(c4)OC)OCC(O)=O)O3)nn2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3073 |
| logD: | 0.0703 |
| logSw: | -4.267 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.626 |
| InChI Key: | AMVLFQTWIFJLIQ-VWLOTQADSA-N |