6-[5-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)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: | 4896-3289 |
| Compound Name: | 6-[5-(5-chloro-2-methylphenyl)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: | 462.96 |
| Molecular Formula: | C24 H19 Cl N4 O2 S |
| Smiles: | Cc1ccc(cc1c1ccc(C2Nc3ccccc3c3c(nc(nn3)SCC=C)O2)o1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4552 |
| logD: | 6.4552 |
| logSw: | -6.3291 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.697 |
| InChI Key: | PYVFQLZFEDMYKO-QFIPXVFZSA-N |