6-[5-(2-nitrophenyl)furan-2-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-[5-(2-nitrophenyl)furan-2-yl]-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[5-(2-nitrophenyl)furan-2-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: | 4896-2642 |
| Compound Name: | 6-[5-(2-nitrophenyl)furan-2-yl]-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C23 H17 N5 O4 S |
| Smiles: | C=CCSc1nc2c(c3ccccc3NC(c3ccc(c4ccccc4[N+]([O-])=O)o3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9479 |
| logD: | 4.9479 |
| logSw: | -4.9097 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.777 |
| InChI Key: | WCCJNEHYSYEWNU-NRFANRHFSA-N |