[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
[4-(3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenoxy]acetic acid
[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: | 4896-4454 |
| Compound Name: | [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: | 486.55 |
| Molecular Formula: | C26 H22 N4 O4 S |
| Smiles: | Cc1ccc(CSc2nc3c(c4ccccc4NC(c4ccc(cc4)OCC(O)=O)O3)nn2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5485 |
| logD: | 0.3116 |
| logSw: | -4.3172 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.909 |
| InChI Key: | KRICOMJYQPZYPE-DEOSSOPVSA-N |