[2-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-6-methoxyphenoxy]acetic acid
Chemical Structure Depiction of
[2-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-6-methoxyphenoxy]acetic acid
[2-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-6-methoxyphenoxy]acetic acid
Compound characteristics
| Compound ID: | 4896-5389 |
| Compound Name: | [2-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-6-methoxyphenoxy]acetic acid |
| Molecular Weight: | 536.99 |
| Molecular Formula: | C26 H21 Cl N4 O5 S |
| Smiles: | COc1cccc(C2Nc3ccccc3c3c(nc(nn3)SCc3ccc(cc3)[Cl])O2)c1OCC(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7054 |
| logD: | 0.4685 |
| logSw: | -4.6669 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.713 |
| InChI Key: | ORXJSIPDCVJXKX-DEOSSOPVSA-N |