6-(6-chloro-2H-1,3-benzodioxol-5-yl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(6-chloro-2H-1,3-benzodioxol-5-yl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(6-chloro-2H-1,3-benzodioxol-5-yl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3662 |
| Compound Name: | 6-(6-chloro-2H-1,3-benzodioxol-5-yl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 426.88 |
| Molecular Formula: | C20 H15 Cl N4 O3 S |
| Smiles: | C=CCSc1nc2c(c3ccccc3NC(c3cc4c(cc3[Cl])OCO4)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6716 |
| logD: | 4.6716 |
| logSw: | -4.995 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.413 |
| InChI Key: | JOHNVDKDDXBDSE-SFHVURJKSA-N |