10-bromo-6-[2-(5-nitrofuran-2-yl)ethenyl]-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-6-[2-(5-nitrofuran-2-yl)ethenyl]-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-6-[2-(5-nitrofuran-2-yl)ethenyl]-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-4987 |
| Compound Name: | 10-bromo-6-[2-(5-nitrofuran-2-yl)ethenyl]-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 488.32 |
| Molecular Formula: | C19 H14 Br N5 O4 S |
| Smiles: | C=CCSc1nc2c(c3cc(ccc3NC(/C=C/c3ccc([N+]([O-])=O)o3)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7338 |
| logD: | 4.7338 |
| logSw: | -4.8331 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.476 |
| InChI Key: | XZCBYZQATSBYKS-NFBGWVBBSA-N |