6-(2-methoxy-5-nitrophenyl)-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-(2-methoxy-5-nitrophenyl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(2-methoxy-5-nitrophenyl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 5511-0138 |
| Compound Name: | 6-(2-methoxy-5-nitrophenyl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C20 H17 N5 O4 S |
| Smiles: | COc1ccc(cc1C1Nc2ccccc2c2c(nc(nn2)SCC=C)O1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3988 |
| logD: | 4.3988 |
| logSw: | -4.4526 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.309 |
| InChI Key: | AGDUYNRUAKAUBG-SFHVURJKSA-N |