{4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid
Chemical Structure Depiction of
{4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid
{4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid
Compound characteristics
| Compound ID: | 2049-1981 |
| Compound Name: | {4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3ccc(cc3)OCC(O)=O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3364 |
| logD: | 0.0995 |
| logSw: | -4.1452 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.18 |
| InChI Key: | VYLWURKNALKGKY-FQEVSTJZSA-N |