3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(5-nitrofuran-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(5-nitrofuran-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(5-nitrofuran-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6753-0861 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(5-nitrofuran-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 467.89 |
| Molecular Formula: | C21 H14 Cl N5 O4 S |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1nc2c(c3ccccc3NC(c3ccc([N+]([O-])=O)o3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4751 |
| logD: | 4.4751 |
| logSw: | -4.8374 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.686 |
| InChI Key: | VMSLICKEUAFGDB-IBGZPJMESA-N |