(4-{3-[(prop-2-en-1-yl)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-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenoxy)acetic acid
(4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenoxy)acetic acid
Compound characteristics
| Compound ID: | 4896-3652 |
| Compound Name: | (4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenoxy)acetic acid |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C21 H18 N4 O4 S |
| Smiles: | C=CCSc1nc2c(c3ccccc3NC(c3ccc(cc3)OCC(O)=O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.578 |
| logD: | -0.659 |
| logSw: | -3.7214 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.18 |
| InChI Key: | GDKFPKHRDITRTP-IBGZPJMESA-N |