(2-methoxy-6-{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
(2-methoxy-6-{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
(2-methoxy-6-{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: | 4896-3888 |
| Compound Name: | (2-methoxy-6-{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: | 452.49 |
| Molecular Formula: | C22 H20 N4 O5 S |
| Smiles: | COc1cccc(C2Nc3ccccc3c3c(nc(nn3)SCC=C)O2)c1OCC(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5636 |
| logD: | -0.6734 |
| logSw: | -3.7902 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.984 |
| InChI Key: | DJNZUYIWDUMFSN-FQEVSTJZSA-N |