[4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-2-methoxyphenoxy]acetic acid
Chemical Structure Depiction of
[4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-2-methoxyphenoxy]acetic acid
[4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-2-methoxyphenoxy]acetic acid
Compound characteristics
| Compound ID: | 4896-4778 |
| Compound Name: | [4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-2-methoxyphenoxy]acetic acid |
| Molecular Weight: | 536.99 |
| Molecular Formula: | C26 H21 Cl N4 O5 S |
| Smiles: | COc1cc(ccc1OCC(O)=O)C1Nc2ccccc2c2c(nc(nn2)SCc2ccc(cc2)[Cl])O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4786 |
| logD: | 0.2417 |
| logSw: | -4.6937 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.626 |
| InChI Key: | OLEWDHNHTWSGQK-DEOSSOPVSA-N |