2-nitro-4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol
Chemical Structure Depiction of
2-nitro-4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol
2-nitro-4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol
Compound characteristics
| Compound ID: | 4896-3653 |
| Compound Name: | 2-nitro-4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol |
| Molecular Weight: | 409.42 |
| Molecular Formula: | C19 H15 N5 O4 S |
| Smiles: | C=CCSc1nc2c(c3ccccc3NC(c3ccc(c(c3)[N+]([O-])=O)O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1234 |
| logD: | 3.3372 |
| logSw: | -4.1016 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.926 |
| InChI Key: | PQNBKZNBWRDGOQ-KRWDZBQOSA-N |